![6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione structure](/static/products/1134/113458-38-1.webp)
6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
TL;DR: 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione (CAS 113458-38-1) is a chemical compound with molecular formula C14H17N3OS and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
Also Known As: BAS 02788765, 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione, 4-amino-5-(4-isopropoxybenzyl)pyrimidine-2-thiol, 4-Amino-5-(4-isopropoxy-benzyl)-pyrimidine-2-thiol, 4-amino-5-[4-(propan-2-yloxy)benzyl]pyrimidine-2-thiol
| Molecular Formula | C14H17N3OS |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.09939 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.10922 |
| Heavy Atoms | 19 |
| Complexity | 604.8333 |
Chemical Identifiers
| CAS Number | 113458-38-1 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CC2=C(NC(=S)N=C2)N |
Product Overview
6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione (CAS 113458-38-1), with molecular formula C14H17N3OS and molecular weight 275.11 g/mol. IUPAC: 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione.
Chemical Property Profile of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
Property Insights of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione
The XLogP value of 3.09939 indicates that 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione. Following Lipinski's Rule of Five, 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione has 2 hydrogen bond donor(s) and 4 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-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione?
The CAS number of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione is 113458-38-1.
What is the molecular formula of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione?
The molecular formula of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione is C14H17N3OS.
What is the molecular weight of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione?
The molecular weight of 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione is 275.11 g/mol.
Where can I buy 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione?
You can request a quote for 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione 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-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.