6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
TL;DR: 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one (CAS 36043-49-9) is a chemical compound with molecular formula C8H13N3OS and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1,3-diethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one, 6-amino-1,3-diethyl-2-sulfanylidenepyrimidin-4-one, 4(1H)-Pyrimidinone,6-amino-1,3-diethyl-2,3-dihydro-2-thioxo-, 1,3-diethyl-6-amino-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one, 6-amino-1,3-diethyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 36043-49-9 |
|---|---|
| SMILES | CCN1C(=CC(=O)N(C1=S)CC)N |
| InChIKey | AZYPFBHBVLBWIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one (CAS 36043-49-9), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 6-amino-1,3-diethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
Property Insights of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one. Following Lipinski's Rule of Five, 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one has 1 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-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one?
The CAS number of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one is 36043-49-9.
What is the molecular formula of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one?
The molecular formula of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one is C8H13N3OS.
What is the molecular weight of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one?
The molecular weight of 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one is 199.08 g/mol.
Where can I buy 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one?
You can request a quote for 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-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-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1,3-diethyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.