2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one
TL;DR: 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one (CAS 6969-92-2) 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.
2-amino-4-butylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-amino-4-butylsulfanyl-1H-pyrimidin-6-one, 2-amino-6-(butylsulfanyl)pyrimidin-4(3h)-one, 2-amino-4-(butylthio)-1H-pyrimidin-6-one, 2-azanyl-4-butylsulfanyl-1H-pyrimidin-6-one
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 6969-92-2 |
|---|---|
| SMILES | CCCCSC1=CC(=O)NC(=N1)N |
| InChIKey | NQOJODYDJOKULT-UHFFFAOYSA-N |
Product Overview
2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one (CAS 6969-92-2), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 2-amino-4-butylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one
Property Insights of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one. Following Lipinski's Rule of Five, 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-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 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one?
The CAS number of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one is 6969-92-2.
What is the molecular formula of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one?
The molecular formula of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one is C8H13N3OS.
What is the molecular weight of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one?
The molecular weight of 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one is 199.08 g/mol.
Where can I buy 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one?
You can request a quote for 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-(butylsulfanyl)pyrimidin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.