4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
TL;DR: 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride (CAS 122113-22-8) is a chemical compound with molecular formula C13H16ClN5O and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carbonitrile;hydrochloride
Also Known As: 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride, 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carbonitrile hydrochloride, 1-(7-Methyl-6-oxo-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carbonitrile--hydrogen chloride (1/1), RefChem:295595
| Molecular Formula | C13H16ClN5O |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 1.15728 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.10434 |
| Heavy Atoms | 20 |
| Complexity | 562.37024 |
Chemical Identifiers
| CAS Number | 122113-22-8 |
|---|---|
| SMILES | CN1C(=O)CC2=CN=C(N=C21)N3CCC(CC3)C#N.Cl |
Product Overview
4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride (CAS 122113-22-8), with molecular formula C13H16ClN5O and molecular weight 293.10 g/mol. IUPAC: 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carbonitrile;hydrochloride.
Chemical Property Profile of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
Property Insights of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride
The XLogP value of 1.15728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride. Following Lipinski's Rule of Five, 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
The CAS number of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride is 122113-22-8.
What is the molecular formula of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
The molecular formula of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride is C13H16ClN5O.
What is the molecular weight of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
The molecular weight of 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride is 293.10 g/mol.
Where can I buy 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
You can request a quote for 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinecarbonitrile, 1-(6,7-dihydro-7-methyl-6-oxo-5H-pyrrolo(2,3-d)pyrimidin-2-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.