(6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone
TL;DR: (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone (CAS 210235-77-1) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-amino-1-methyl-2-sulfanylidenepyrimidin-5-yl)-phenylmethanone
Also Known As: Ethynamine,N-2-propynylidene, (6-amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone, (6-Amino-1-methyl-2-thioxo-1,2-dihydropyrimidin-5-yl)(phenyl)methanone, (6-amino-1-methyl-2-sulfanylidenepyrimidin-5-yl)-phenylmethanone, 6-amino-5-benzoyl-1-methylpyrimidine-2-thione
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 1.96279 |
| Topological Polar Surface Area | 60.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 619.393 |
Chemical Identifiers
| CAS Number | 210235-77-1 |
|---|---|
| SMILES | CN1C(=C(C=NC1=S)C(=O)C2=CC=CC=C2)N |
Product Overview
(6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone (CAS 210235-77-1), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: (6-amino-1-methyl-2-sulfanylidenepyrimidin-5-yl)-phenylmethanone.
Chemical Property Profile of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone
Property Insights of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone
The XLogP value of 1.96279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone. The TPSA of 60.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone. Following Lipinski's Rule of Five, (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone 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 (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone?
The CAS number of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone is 210235-77-1.
What is the molecular formula of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone?
The molecular formula of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone is C12H11N3OS.
What is the molecular weight of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone?
The molecular weight of (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone is 245.06 g/mol.
Where can I buy (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone?
You can request a quote for (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (6-Amino-1-methyl-2-thioxo-1,2-dihydro-5-pyrimidinyl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.