2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine
TL;DR: 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine (CAS 412004-29-6) is a chemical compound with molecular formula C9H13N3OS and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
Also Known As: 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine, J1.751.330C, AN-967/15488350, N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide, N,N-dimethyl-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
| Molecular Formula | C9H13N3OS |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 0.96532 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.07793 |
| Heavy Atoms | 14 |
| Complexity | 327.58804 |
Chemical Identifiers
| CAS Number | 412004-29-6 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)N(C)C |
Product Overview
2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine (CAS 412004-29-6), with molecular formula C9H13N3OS and molecular weight 211.08 g/mol. IUPAC: N,N-dimethyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine
Property Insights of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine
The XLogP value of 0.96532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine. With a topological polar surface area (TPSA) of 46.09 Ų, 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine 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 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine?
The CAS number of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine is 412004-29-6.
What is the molecular formula of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine?
The molecular formula of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine is C9H13N3OS.
What is the molecular weight of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine?
The molecular weight of 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine is 211.08 g/mol.
Where can I buy 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine?
You can request a quote for 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylcarbamoylmethylthio)-4-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.