N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
TL;DR: N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide (CAS 544678-82-2) is a chemical compound with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
Also Known As: 1xuc, Pyrimidine Dicarboxamide Inhibitor, 3, PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE), N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide, 4,6-Pyrimidinedicarboxamide, N4,N6-bis((3-methylphenyl)methyl)-
| Molecular Formula | C22H22N4O2 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 2.95344 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.1743 |
| Heavy Atoms | 28 |
| Complexity | 924.33673 |
Chemical Identifiers
| CAS Number | 544678-82-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CNC(=O)C2=CC(=NC=N2)C(=O)NCC3=CC=CC(=C3)C |
Product Overview
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide (CAS 544678-82-2), with molecular formula C22H22N4O2 and molecular weight 374.17 g/mol. IUPAC: 4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.
Chemical Property Profile of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
Property Insights of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
The XLogP value of 2.95344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide. Following Lipinski's Rule of Five, N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide has 2 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 N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide?
The CAS number of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide is 544678-82-2.
What is the molecular formula of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide?
The molecular formula of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide is C22H22N4O2.
What is the molecular weight of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide?
The molecular weight of N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide is 374.17 g/mol.
Where can I buy N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide?
You can request a quote for N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.