N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine
TL;DR: N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine (CAS 42388-75-0) is a chemical compound with molecular formula C20H24ClN7 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[2-[bis(prop-2-enyl)amino]ethyl]-2-N-(6-chloro-1H-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamine
Also Known As: N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine, 4-N-[2-[bis(prop-2-enyl)amino]ethyl]-2-N-(6-chloro-1H-benzim, 2,4-Pyrimidinediamine, N2-(6-chloro-1H-benzimidazol-2-yl)-N4-[2-(di-2-propen-1-ylamino)ethyl]-6-methyl-, 4-N-[2-[bis(prop-2-enyl)amino]ethyl]-2-N-(6-chloro-1H-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamine, N~2~-(6-Chloro-1H-1,3-benzimidazol-2-yl)-N~4~-{2-[di(prop-2-en-1-yl)amino]ethyl}-6-methylpyrimidine-2,4-diamine
| Molecular Formula | C20H24ClN7 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 397.17816 |
| Heavy Atoms | 28 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 42388-75-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)Cl)NCCN(CC=C)CC=C |
| InChIKey | SASMBUVNGXXJEA-UHFFFAOYSA-N |
Product Overview
N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine (CAS 42388-75-0), with molecular formula C20H24ClN7 and molecular weight 397.18 g/mol. IUPAC: 4-N-[2-[bis(prop-2-enyl)amino]ethyl]-2-N-(6-chloro-1H-benzimidazol-2-yl)-6-methylpyrimidine-2,4-diamine.
Chemical Property Profile of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine
Property Insights of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine
The XLogP value of 4.6 indicates that N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine 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 N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine?
The CAS number of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine is 42388-75-0.
What is the molecular formula of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine?
The molecular formula of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine is C20H24ClN7.
What is the molecular weight of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine?
The molecular weight of N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine is 397.18 g/mol.
Where can I buy N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine?
You can request a quote for N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-2-(6-Chloro-1H-benzoimidazol-2-yl)-N-4-(2-diallylamino-ethyl)-6-methyl-pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.