1-Methylhexahydropyrimidine
TL;DR: 1-Methylhexahydropyrimidine (CAS 31952-00-8) is a chemical compound with molecular formula C5H12N2 and molecular weight 100.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1,3-diazinane
Also Known As: 1-Methylhexahydropyrimidine, 1-methyl-1,3-diazinane, 1-methyl-hexahydropyrimidine, N-methylhexahydropyrimidine, n-methyltetrahydropyrimidine
| Molecular Formula | C5H12N2 |
|---|---|
| Molecular Weight | 100.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.10005 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 31952-00-8 |
|---|---|
| SMILES | CN1CCCNC1 |
| InChIKey | AHEKENQPEQYCMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylhexahydropyrimidine (CAS 31952-00-8), with molecular formula C5H12N2 and molecular weight 100.10 g/mol. IUPAC: 1-methyl-1,3-diazinane.
Chemical Property Profile of 1-Methylhexahydropyrimidine
Property Insights of 1-Methylhexahydropyrimidine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylhexahydropyrimidine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-Methylhexahydropyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylhexahydropyrimidine has 1 hydrogen bond donor(s) and 2 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 1-Methylhexahydropyrimidine?
The CAS number of 1-Methylhexahydropyrimidine is 31952-00-8.
What is the molecular formula of 1-Methylhexahydropyrimidine?
The molecular formula of 1-Methylhexahydropyrimidine is C5H12N2.
What is the molecular weight of 1-Methylhexahydropyrimidine?
The molecular weight of 1-Methylhexahydropyrimidine is 100.10 g/mol.
Where can I buy 1-Methylhexahydropyrimidine?
You can request a quote for 1-Methylhexahydropyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylhexahydropyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylhexahydropyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.