Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-
TL;DR: Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- (CAS 75129-08-7) is a chemical compound with molecular formula C12H10N4S and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: 4-amino-2-mercapto-6-(p-tolyl)pyrimidine-5-carbonitrile, Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-, 4-amino-6-(4-methylphenyl)-2-sulfanyl-5-pyrimidinecarbonitrile, 6-amino-2-thioxo-4-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile, 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
| Molecular Formula | C12H10N4S |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.56849 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.06262 |
| Heavy Atoms | 17 |
| Complexity | 649.68634 |
Chemical Identifiers
| CAS Number | 75129-08-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(C(=NC(=S)N2)N)C#N |
Product Overview
Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- (CAS 75129-08-7), with molecular formula C12H10N4S and molecular weight 242.06 g/mol. IUPAC: 4-amino-6-(4-methylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-
Property Insights of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-
The XLogP value of 2.56849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-. Following Lipinski's Rule of Five, Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- 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 Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-?
The CAS number of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- is 75129-08-7.
What is the molecular formula of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-?
The molecular formula of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- is C12H10N4S.
What is the molecular weight of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-?
The molecular weight of Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- is 242.06 g/mol.
Where can I buy Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-?
You can request a quote for Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.