![4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine structure](/static/products/3384/338417-80-4.webp)
4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine
TL;DR: 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine (CAS 338417-80-4) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine
Also Known As: Bionet2_000149, 4-methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine, 4-methyl-5-[(4-methylphenyl)sulfanyl]pyrimidin-2-amine, 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine, 4-methyl-5-(p-tolylsulfanyl)pyrimidin-2-amine
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 2.82684 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 494.1171 |
Chemical Identifiers
| CAS Number | 338417-80-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CN=C(N=C2C)N |
Product Overview
4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine (CAS 338417-80-4), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: 4-methyl-5-(4-methylphenyl)sulfanylpyrimidin-2-amine.
Chemical Property Profile of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine
Property Insights of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine
The XLogP value of 2.82684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine has 1 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 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine?
The CAS number of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine is 338417-80-4.
What is the molecular formula of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine?
The molecular formula of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine is C12H13N3S.
What is the molecular weight of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine?
The molecular weight of 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine is 231.08 g/mol.
Where can I buy 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine?
You can request a quote for 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.