![2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde structure](/static/products/1667/16672-78-9.webp)
2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde
TL;DR: 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde (CAS 16672-78-9) is a chemical compound with molecular formula C12H13N5O and molecular weight 243.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diamino-6-(4-methylanilino)pyrimidine-5-carbaldehyde
Also Known As: NCIOpen2_007246, 2,4-diamino-6-(4-methylanilino)pyrimidine-5-carbaldehyde, 2,4-Diamino-6-(p-tolylamino)pyrimidine-5-carbaldehyde, 2,4-diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde, 2,4-Diamino-6-(p-toluidino)-pyrimidin-carbaldehyd-(5)
| Molecular Formula | C12H13N5O |
|---|---|
| Molecular Weight | 243.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.11201 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 16672-78-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=NC(=NC(=C2C=O)N)N |
| InChIKey | UMJHPTLILDCPRB-UHFFFAOYSA-N |
Product Overview
2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde (CAS 16672-78-9), with molecular formula C12H13N5O and molecular weight 243.11 g/mol. IUPAC: 2,4-diamino-6-(4-methylanilino)pyrimidine-5-carbaldehyde.
Chemical Property Profile of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde
Property Insights of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde. Following Lipinski's Rule of Five, 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde 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-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde?
The CAS number of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde is 16672-78-9.
What is the molecular formula of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde?
The molecular formula of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde is C12H13N5O.
What is the molecular weight of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde?
The molecular weight of 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde is 243.11 g/mol.
Where can I buy 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde?
You can request a quote for 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde 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-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-6-[(4-methylphenyl)amino]pyrimidine-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.