4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile
TL;DR: 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile (CAS 51991-96-9) is a chemical compound with molecular formula C9H6N4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iminopyrido[1,2-a]pyrimidine-3-carbonitrile
Also Known As: 4-imino-4H-pyrido[1,2-a]pyrimidine-3-carbonitrile, 4-iminopyrido[1,2-a]pyrimidine-3-carbonitrile, 4-imino-4H-pyrido[1,2-a]pyrimidin-3-yl cyanide, 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile, 4-imino-5-hydropyridino[1,2-a]pyrimidine-3-carbonitrile
| Molecular Formula | C9H6N4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.68545 |
| Topological Polar Surface Area | 64.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.05925 |
| Heavy Atoms | 13 |
| Complexity | 547.2786 |
Chemical Identifiers
| CAS Number | 51991-96-9 |
|---|---|
| SMILES | C1=CC2=NC=C(C(=N)N2C=C1)C#N |
Product Overview
4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile (CAS 51991-96-9), with molecular formula C9H6N4 and molecular weight 170.06 g/mol. IUPAC: 4-iminopyrido[1,2-a]pyrimidine-3-carbonitrile.
Chemical Property Profile of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile
Property Insights of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile
The XLogP value of 0.68545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile. The TPSA of 64.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile?
The CAS number of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile is 51991-96-9.
What is the molecular formula of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile?
The molecular formula of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile is C9H6N4.
What is the molecular weight of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile?
The molecular weight of 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile is 170.06 g/mol.
Where can I buy 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile?
You can request a quote for 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Imino-4H-pyrido(1,2-A)pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.