2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione
TL;DR: 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione (CAS 13166-55-7) is a chemical compound with molecular formula C11H10ClN3S and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidine-4-thione
Also Known As: 2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidine-4-thione, 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione, 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(3H)-thione, 2-amino-5-(4-chloro-phenyl)-6-methyl-3H-pyrimidine-4-thione, 4(3H)-Pyrimidinethione, 2-amino-5-(4-chlorophenyl)-6-methyl-
| Molecular Formula | C11H10ClN3S |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 3.35021 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.0284 |
| Heavy Atoms | 16 |
| Complexity | 574.7738 |
Chemical Identifiers
| CAS Number | 13166-55-7 |
|---|---|
| SMILES | CC1=C(C(=S)N=C(N1)N)C2=CC=C(C=C2)Cl |
Product Overview
2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione (CAS 13166-55-7), with molecular formula C11H10ClN3S and molecular weight 251.03 g/mol. IUPAC: 2-amino-5-(4-chlorophenyl)-6-methyl-1H-pyrimidine-4-thione.
Chemical Property Profile of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione
Property Insights of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione
The XLogP value of 3.35021 indicates that 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione has 2 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 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione?
The CAS number of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione is 13166-55-7.
What is the molecular formula of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione?
The molecular formula of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione is C11H10ClN3S.
What is the molecular weight of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione?
The molecular weight of 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione is 251.03 g/mol.
Where can I buy 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione?
You can request a quote for 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(4-chlorophenyl)-6-methylpyrimidine-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.