5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
TL;DR: 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione (CAS 93898-38-5) is a chemical compound with molecular formula C14H17N3S and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
Also Known As: 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione, 5-(3-Anilinopropyl)-6-methylpyrimidine-4(1H)-thione
| Molecular Formula | C14H17N3S |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.49231 |
| Topological Polar Surface Area | 40.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.11432 |
| Heavy Atoms | 18 |
| Complexity | 548.4656 |
Chemical Identifiers
| CAS Number | 93898-38-5 |
|---|---|
| SMILES | CC1=C(C(=S)N=CN1)CCCNC2=CC=CC=C2 |
Product Overview
5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione (CAS 93898-38-5), with molecular formula C14H17N3S and molecular weight 259.11 g/mol. IUPAC: 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione.
Chemical Property Profile of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
Property Insights of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione
The XLogP value of 3.49231 indicates that 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.71 Ų, 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione 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-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione?
The CAS number of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione is 93898-38-5.
What is the molecular formula of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione?
The molecular formula of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione is C14H17N3S.
What is the molecular weight of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione?
The molecular weight of 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione is 259.11 g/mol.
Where can I buy 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione?
You can request a quote for 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-anilinopropyl)-6-methyl-1H-pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.