6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr
TL;DR: 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr (CAS 55416-94-9) is a chemical compound with molecular formula C19H29BrClN5S and molecular weight 473.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide
Also Known As: 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr, 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2)-methyl-N(sup 2)-(phenylmethyl)-, monohydrobromide, 2-N-benzyl-6-chloro-4-N-(2-diethylaminoethyl)-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine hydrobromide, N-Benzyl-4-chloro-6-{[2-(diethylamino)ethyl]imino}-N-methyl-5-(methylsulfanyl)-1,6-dihydropyrimidin-2-amine--hydrogen bromide (1/1), RefChem:246929
| Molecular Formula | C19H29BrClN5S |
|---|---|
| Molecular Weight | 473.10 g/mol |
| LogP | 4.8199 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.10156 |
| Heavy Atoms | 27 |
| Complexity | 685.3003 |
Chemical Identifiers
| CAS Number | 55416-94-9 |
|---|---|
| SMILES | CCN(CC)CCNC1=C(C(=NC(=N1)N(C)CC2=CC=CC=C2)Cl)SC.Br |
Product Overview
6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr (CAS 55416-94-9), with molecular formula C19H29BrClN5S and molecular weight 473.10 g/mol. IUPAC: 2-N-benzyl-6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine;hydrobromide.
Chemical Property Profile of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr
Property Insights of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr
The XLogP value of 4.8199 indicates that 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr has 1 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 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr?
The CAS number of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr is 55416-94-9.
What is the molecular formula of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr?
The molecular formula of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr is C19H29BrClN5S.
What is the molecular weight of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr?
The molecular weight of 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr is 473.10 g/mol.
Where can I buy 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr?
You can request a quote for 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-N4-(2-(diethylamino)ethyl)-N2-methyl-N2-(phenylmethyl)-2,4-pyrimidinediamine HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.