4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi
TL;DR: 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi (CAS 20865-50-3) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
Also Known As: 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi, 6-Amino-5-(isopropoxymethyl)-2-thioxo-1,2-dihydropyrimidine-4-carboxylic acid, 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid, 4-Pyrimidinecarboxylicacid, 6-amino-1,2-dihydro-5-[(1-methylethoxy)methyl]-2-thioxo-, 6-Amino-5-{[(propan-2-yl)oxy]methyl}-2-sulfanylidene-2,3-dihydropyrimidine-4-carboxylic acid
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 1.34459 |
| Topological Polar Surface Area | 101.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.06776 |
| Heavy Atoms | 16 |
| Complexity | 455.8027 |
Chemical Identifiers
| CAS Number | 20865-50-3 |
|---|---|
| SMILES | CC(C)OCC1=C(NC(=S)N=C1N)C(=O)O |
Product Overview
4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi (CAS 20865-50-3), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid.
Chemical Property Profile of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi
Property Insights of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi
The XLogP value of 1.34459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi. The TPSA of 101.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi. Following Lipinski's Rule of Five, 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi has 3 hydrogen bond donor(s) and 5 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 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi?
The CAS number of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi is 20865-50-3.
What is the molecular formula of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi?
The molecular formula of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi is C9H13N3O3S.
What is the molecular weight of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi?
The molecular weight of 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi is 243.07 g/mol.
Where can I buy 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi?
You can request a quote for 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(propan-2-yloxymethyl)-2-sulfanylidene-1H-pyrimidi and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.