5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide
TL;DR: 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide (CAS 898646-85-0) is a chemical compound with molecular formula C10H14ClN3OS and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide
Also Known As: 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide, VU0608946-1, 5-chloro-N,N-diethyl-2-(methylthio)pyrimidine-4-carboxamide, F3290-0088, 5-chloro-N,N-diethyl-2-methylsulfanyl-pyrimidine-4-carboxamide
| Molecular Formula | C10H14ClN3OS |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.3339 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0546 |
| Heavy Atoms | 16 |
| Complexity | 382.32693 |
Chemical Identifiers
| CAS Number | 898646-85-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=NC(=NC=C1Cl)SC |
Product Overview
5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide (CAS 898646-85-0), with molecular formula C10H14ClN3OS and molecular weight 259.05 g/mol. IUPAC: 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide.
Chemical Property Profile of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide
Property Insights of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide
The XLogP value of 2.3339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide. With a topological polar surface area (TPSA) of 46.09 Ų, 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide has 0 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 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide?
The CAS number of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide is 898646-85-0.
What is the molecular formula of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular formula of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide is C10H14ClN3OS.
What is the molecular weight of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide?
The molecular weight of 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide is 259.05 g/mol.
Where can I buy 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide?
You can request a quote for 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N,N-diethyl-2-methylsulfanylpyrimidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.