![4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile structure](/static/products/5511/55114-33-5.webp)
4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
TL;DR: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile (CAS 55114-33-5) is a chemical compound with molecular formula C10H12N4 and molecular weight 188.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
Also Known As: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile, 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carb, 4-Imino-4,6,7,8,9,10-hexahydropyrimido[1,2-a]azepine-3-carbonitrile, PYRIMIDO[1,2-A]AZEPINE-3-CARBONITRILE,4,6,7,8,9,10-HEXAHYDRO-4-IMINO-
| Molecular Formula | C10H12N4 |
|---|---|
| Molecular Weight | 188.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.1062 |
| Heavy Atoms | 14 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 55114-33-5 |
|---|---|
| SMILES | C1CCC2=NC=C(C(=N)N2CC1)C#N |
| InChIKey | DKAOZMRNFGFHCQ-UHFFFAOYSA-N |
Product Overview
4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile (CAS 55114-33-5), with molecular formula C10H12N4 and molecular weight 188.11 g/mol. IUPAC: 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile.
Chemical Property Profile of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
Property Insights of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile. Following Lipinski's Rule of Five, 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-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-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile?
The CAS number of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile is 55114-33-5.
What is the molecular formula of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile?
The molecular formula of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile is C10H12N4.
What is the molecular weight of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile?
The molecular weight of 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile is 188.11 g/mol.
Where can I buy 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile?
You can request a quote for 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-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-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.