N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine
TL;DR: N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine (CAS 29681-44-5) is a chemical compound with molecular formula C21H29Cl2N7 and molecular weight 449.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[5-(diethylamino)pentan-2-yl]-6-methylpyrimidine-2,4-diamine
Also Known As: N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine, 2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[5-(diethylamino, n2-(5,6-dichloro-1h-benzimidazol-2-yl)-n4-[5-(diethylamino)pentan-2-yl]-6-methylpyrimidine-2,4-diamine, 2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[5-(diethylamino)pentan-2-yl]-6-methylpyrimidine-2,4-diamine, Benzimidazole,6-dichloro-2-[[4-[[4-(diethylamino)-1-methylbutyl]amino]-6-methyl-2-pyrimidinyl]amino]-, monohydrate
| Molecular Formula | C21H29Cl2N7 |
|---|---|
| Molecular Weight | 449.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.18616 |
| Heavy Atoms | 30 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 29681-44-5 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=NC(=NC(=C1)C)NC2=NC3=CC(=C(C=C3N2)Cl)Cl |
| InChIKey | DMSSJMWSFBQXLA-UHFFFAOYSA-N |
Product Overview
N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine (CAS 29681-44-5), with molecular formula C21H29Cl2N7 and molecular weight 449.19 g/mol. IUPAC: 2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[5-(diethylamino)pentan-2-yl]-6-methylpyrimidine-2,4-diamine.
Chemical Property Profile of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine
Property Insights of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine
The XLogP value of 5.9 indicates that N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-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-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine?
The CAS number of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine is 29681-44-5.
What is the molecular formula of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine?
The molecular formula of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine is C21H29Cl2N7.
What is the molecular weight of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine?
The molecular weight of N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine is 449.19 g/mol.
Where can I buy N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine?
You can request a quote for N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-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-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-2-(Dichloro-1H-benzoimidazol-2-yl)-N-4-(diethylamino-methyl-butyl)-methyl-pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.