Crimidine
TL;DR: Crimidine (CAS 535-89-7) is a chemical compound with molecular formula C7H10ClN3 and molecular weight 171.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N,N,6-trimethylpyrimidin-4-amine
Also Known As: CRIMIDINE, Castrix, Crimidin, Crimidina, Crimidin [German]
| Molecular Formula | C7H10ClN3 |
|---|---|
| Molecular Weight | 171.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.05632 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
| Melting Point | 87.2 °C |
| Boiling Point | 284 to 147.2 °C at 4 mmHg |
| Solubility | Very soluble in ethanol |
| Vapor Pressure | Less than 10-5 at 68F |
Chemical Identifiers
| CAS Number | 535-89-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)Cl)N(C)C |
| InChIKey | HJIUPFPIEBPYIE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Crimidine (CAS 535-89-7), with molecular formula C7H10ClN3 and molecular weight 171.06 g/mol. IUPAC: 2-chloro-N,N,6-trimethylpyrimidin-4-amine.
Chemical Property Profile of Crimidine
Property Insights of Crimidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crimidine. With a topological polar surface area (TPSA) of 29.0 Ų, Crimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crimidine has 0 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 Crimidine?
The CAS number of Crimidine is 535-89-7.
What is the molecular formula of Crimidine?
The molecular formula of Crimidine is C7H10ClN3.
What is the molecular weight of Crimidine?
The molecular weight of Crimidine is 171.06 g/mol.
Where can I buy Crimidine?
You can request a quote for Crimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crimidine?
Yes, KEHONG BIO provides custom synthesis services for Crimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.