6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one
TL;DR: 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one (CAS 98421-06-8) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-benzyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 3-methyl-5-benzyl-6-amino-2-thiouracil, NCI60_030854, 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one, 6-amino-5-benzyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one, 6-Amino-5-benzyl-3-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.61589 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 643.0357 |
Chemical Identifiers
| CAS Number | 98421-06-8 |
|---|---|
| SMILES | CN1C(=O)C(=C(NC1=S)N)CC2=CC=CC=C2 |
Product Overview
6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one (CAS 98421-06-8), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 6-amino-5-benzyl-3-methyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one
Property Insights of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one
The XLogP value of 1.61589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one 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 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one?
The CAS number of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one is 98421-06-8.
What is the molecular formula of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one?
The molecular formula of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one is C12H13N3OS.
What is the molecular weight of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one?
The molecular weight of 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one is 247.08 g/mol.
Where can I buy 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one?
You can request a quote for 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-benzyl-3-methyl-2-thioxo-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.