3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
TL;DR: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile (CAS 774-12-9) is a chemical compound with molecular formula C8H10N4S and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
Also Known As: NCIOpen2_001643, 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile, 3-(2-Amino-6-methyl-4-sulfanylidene-1,4-dihydropyrimidin-5-yl)propanenitrile
| Molecular Formula | C8H10N4S |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.48599 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06262 |
| Heavy Atoms | 13 |
| Complexity | 401.58554 |
Chemical Identifiers
| CAS Number | 774-12-9 |
|---|---|
| SMILES | CC1=C(C(=S)N=C(N1)N)CCC#N |
Product Overview
3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile (CAS 774-12-9), with molecular formula C8H10N4S and molecular weight 194.06 g/mol. IUPAC: 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile.
Chemical Property Profile of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
Property Insights of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile
The XLogP value of 1.48599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile. Following Lipinski's Rule of Five, 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile has 2 hydrogen bond donor(s) and 4 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 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile?
The CAS number of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile is 774-12-9.
What is the molecular formula of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile?
The molecular formula of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile is C8H10N4S.
What is the molecular weight of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile?
The molecular weight of 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile is 194.06 g/mol.
Where can I buy 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile?
You can request a quote for 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.