4-氨基-2-甲基嘧啶-5-甲腈
TL;DR: 4-氨基-2-甲基嘧啶-5-甲腈 (CAS 698-29-3) is a chemical compound with molecular formula C6H6N4 and molecular weight 134.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-2-甲基嘧啶-5-甲腈
4-amino-2-methylpyrimidine-5-carbonitrile
Also Known As: 4-Amino-2-methylpyrimidine-5-carbonitrile, 4-Amino-5-cyano-2-methylpyrimidine, rel-trans-Silandrin, Thiamine Impurity 34, 4-Amino-2-methyl-5-pyrimidinecarbonitrile
| Molecular Formula | C6H6N4 |
|---|---|
| Molecular Weight | 134.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.05925 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 698-29-3 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)N)C#N |
| InChIKey | YBPNIILOUYAGIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基-2-甲基嘧啶-5-甲腈 (CAS 698-29-3), with molecular formula C6H6N4 and molecular weight 134.06 g/mol. IUPAC: 4-amino-2-methylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-氨基-2-甲基嘧啶-5-甲腈
Property Insights of 4-氨基-2-甲基嘧啶-5-甲腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基-2-甲基嘧啶-5-甲腈. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氨基-2-甲基嘧啶-5-甲腈. Following Lipinski's Rule of Five, 4-氨基-2-甲基嘧啶-5-甲腈 has 1 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 4-氨基-2-甲基嘧啶-5-甲腈?
The CAS number of 4-氨基-2-甲基嘧啶-5-甲腈 is 698-29-3.
What is the molecular formula of 4-氨基-2-甲基嘧啶-5-甲腈?
The molecular formula of 4-氨基-2-甲基嘧啶-5-甲腈 is C6H6N4.
What is the molecular weight of 4-氨基-2-甲基嘧啶-5-甲腈?
The molecular weight of 4-氨基-2-甲基嘧啶-5-甲腈 is 134.06 g/mol.
Where can I buy 4-氨基-2-甲基嘧啶-5-甲腈?
You can request a quote for 4-氨基-2-甲基嘧啶-5-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-2-甲基嘧啶-5-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-2-甲基嘧啶-5-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.