2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile
TL;DR: 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile (CAS 501941-59-9) is a chemical compound with molecular formula C11H10N6 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diamino-6-anilinopyrimidine-5-carbonitrile
Also Known As: 2,4-diamino-6-anilino-5-pyrimidinecarbonitrile, 2,4-diamino-6-anilinopyrimidine-5-carbonitrile, J2.693.102I, 2,4-diamino-6-(phenylamino)pyrimidine-5-carbonitrile, AR-434/42794144
| Molecular Formula | C11H10N6 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0967 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 501941-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=C2C#N)N)N |
| InChIKey | ZOBQTTFHXHCHHP-UHFFFAOYSA-N |
Product Overview
2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile (CAS 501941-59-9), with molecular formula C11H10N6 and molecular weight 226.10 g/mol. IUPAC: 2,4-diamino-6-anilinopyrimidine-5-carbonitrile.
Chemical Property Profile of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile
Property Insights of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile has 3 hydrogen bond donor(s) and 6 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 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile?
The CAS number of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile is 501941-59-9.
What is the molecular formula of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile?
The molecular formula of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile is C11H10N6.
What is the molecular weight of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile?
The molecular weight of 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile is 226.10 g/mol.
Where can I buy 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile?
You can request a quote for 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-6-anilino-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.