6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
TL;DR: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- (CAS 122112-80-5) is a chemical compound with molecular formula C12H17N5O and molecular weight 247.14331 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,4-diazepan-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
Also Known As: 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-, 2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-5,7-Dihydro-6H-pyrrolo(2,3-d)pyrimidin-6-one, 2-(1,4-diazepan-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one, 2-(1,4-Diazepan-1-yl)-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
Technical Specifications
| Molecular Formula | C12H17N5O |
| Molecular Weight | 247.14331 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.14331 Da |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCCNCC3 |
| InChIKey | UMIYWYGYSNIOBZ-UHFFFAOYSA-N |
Chemical Property Profile of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
Property Insights of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-
The XLogP value of -0.3 indicates that 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-. Following Lipinski's Rule of Five, 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-?
The CAS number of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- is 122112-80-5.
What is the molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-?
The molecular formula of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- is C12H17N5O.
What is the molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-?
The molecular weight of 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- is 247.14331 g/mol.
Where can I buy 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-?
You can request a quote for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl-?
Yes, CoreyChem provides custom synthesis services for 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(hexahydro-1H-1,4-diazepin-1-yl)-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.