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5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- structure
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5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-

TL;DR: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- (CAS 114684-94-5) is a chemical compound with molecular formula C14H17ClN4 and molecular weight 276.11417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

Also Known As: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-, 2-Chloro-4-(beta-(cyclohexen-1'-yl)ethylamino)pyrrolo(3,2-d)pyrimidine, 2-Chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-5H-pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine, 2-CHLORO-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-5H-PYRROLO[3,2-D]PYRIMIDIN-4-AMINE

CAS Number
114684-94-5
Molecular Formula
C14H17ClN4
Molecular Weight
276.11417 g/mol
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Technical Specifications

Molecular FormulaC14H17ClN4
Molecular Weight276.11417 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)53.6 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds4
Exact Mass276.11417 Da
Heavy Atoms19
Complexity333.0
SMILESC1CCC(=CC1)CCNC2=NC(=NC3=C2NC=C3)Cl
InChIKeyHWKUUNFBRUEKJZ-UHFFFAOYSA-N

Chemical Property Profile of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-

XLogP
3.7
TPSA (Topological Polar Surface Area)
53.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
4
Heavy Atoms
19
Complexity
333.0
Exact Mass
276.11417
Monoisotopic Mass
276.11417
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 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-

The XLogP value of 3.7 indicates that 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-?

The CAS number of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is 114684-94-5.

What is the molecular formula of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-?

The molecular formula of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is C14H17ClN4.

What is the molecular weight of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-?

The molecular weight of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is 276.11417 g/mol.

Where can I buy 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-?

You can request a quote for 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-?

Yes, CoreyChem provides custom synthesis services for 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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