6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile
TL;DR: 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile (CAS 53608-90-5) is a chemical compound with molecular formula C12H18N4O and molecular weight 234.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-heptyl-2-oxopyrimidine-5-carbonitrile
Also Known As: 3-n-Heptyl-5-cyanocytosine, 6-amino-1-heptyl-2-oxopyrimidine-5-carbonitrile, 6-amino-1-heptyl-2-oxo-5-pyrimidinecarbonitrile, 3-heptyl-4-imino-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, S14-1156
| Molecular Formula | C12H18N4O |
|---|---|
| Molecular Weight | 234.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.14806 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 53608-90-5 |
|---|---|
| SMILES | CCCCCCCN1C(=C(C=NC1=O)C#N)N |
| InChIKey | AYYVVJSLDUCYAO-UHFFFAOYSA-N |
Product Overview
6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile (CAS 53608-90-5), with molecular formula C12H18N4O and molecular weight 234.15 g/mol. IUPAC: 6-amino-1-heptyl-2-oxopyrimidine-5-carbonitrile.
Chemical Property Profile of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile
Property Insights of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 6-Amino-1-heptyl-2-oxopyrimidine-5-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 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile?
The CAS number of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile is 53608-90-5.
What is the molecular formula of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile?
The molecular formula of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile is C12H18N4O.
What is the molecular weight of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile?
The molecular weight of 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile is 234.15 g/mol.
Where can I buy 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile?
You can request a quote for 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-heptyl-2-oxopyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.