5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone
TL;DR: 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone (CAS 6299-58-7) 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-5,5-diethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone, 5,5-Diethyl-6-imino-2-thio-hydrouracil, 6-amino-5,5-diethyl-2-sulfanylidenepyrimidin-4-one, NCI60_004033, 6-amino-5,5-diethyl-2-sulfanylidene-pyrimidin-4-one
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.5647 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 281.11374 |
Chemical Identifiers
| CAS Number | 6299-58-7 |
|---|---|
| SMILES | CCC1(C(=NC(=S)NC1=O)N)CC |
Product Overview
5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone (CAS 6299-58-7), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 6-amino-5,5-diethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone
Property Insights of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone
The XLogP value of 0.5647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone. Following Lipinski's Rule of Five, 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone 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 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone?
The CAS number of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone is 6299-58-7.
What is the molecular formula of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone?
The molecular formula of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone is C8H13N3OS.
What is the molecular weight of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone?
The molecular weight of 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone is 199.08 g/mol.
Where can I buy 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone?
You can request a quote for 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.