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4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure
Fine Chemical

4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

TL;DR: 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 127913-81-9) is a chemical compound with molecular formula C12H12BrN5O3 and molecular weight 353.01236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-amino-7-[(2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Also Known As: 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-Amino-7-(3-bromo-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-5-cyano-7-(2-deoxy-2-bromo-EC-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine, 4-amino-5-cyano-7-(2-deoxy-2-bromo-EC-D-arabinofuranosyl)pyrrolo[2,3-d]pyrimidine, 4-Amino-7-(2-bromo-2-deoxypentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

CAS Number
127913-81-9
Molecular Formula
C12H12BrN5O3
Molecular Weight
353.01236 g/mol
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Technical Specifications

Molecular FormulaC12H12BrN5O3
Molecular Weight353.01236 g/mol
XLogP-0.2
Topological Polar Surface Area (TPSA)130.0 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors7
Rotatable Bonds2
Exact Mass353.01236 Da
Heavy Atoms21
Complexity446.0
SMILESC1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)Br)N)C#N
InChIKeyPVKOGOYWCPHLFZ-IQEPQDSISA-N

Chemical Property Profile of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

XLogP
-0.2
TPSA (Topological Polar Surface Area)
130.0
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
Rotatable Bonds
2
Heavy Atoms
21
Complexity
446.0
Exact Mass
353.01236
Monoisotopic Mass
353.01236
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

The XLogP value of -0.2 indicates that 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?

The CAS number of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is 127913-81-9.

What is the molecular formula of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?

The molecular formula of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is C12H12BrN5O3.

What is the molecular weight of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?

The molecular weight of 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile is 353.01236 g/mol.

Where can I buy 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?

You can request a quote for 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile?

Yes, CoreyChem provides custom synthesis services for 4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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