N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
TL;DR: N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine (CAS 672918-68-2) is a chemical compound with molecular formula C15H18N6O2 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-methylphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
Also Known As: UPCMLD0ENAT5866608:001, (4-amino-5-nitro-6-pyrrolidinylpyrimidin-2-yl)(3-methylphenyl)amine, 5-nitro-6-(pyrrolidin-1-yl)-N2-(m-tolyl)pyrimidine-2,4-diamine, 2-N-(3-methylphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine, N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
| Molecular Formula | C15H18N6O2 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 2.61922 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1491 |
| Heavy Atoms | 23 |
| Complexity | 742.7421 |
Chemical Identifiers
| CAS Number | 672918-68-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=C(C(=N2)N3CCCC3)[N+](=O)[O-])N |
Product Overview
N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine (CAS 672918-68-2), with molecular formula C15H18N6O2 and molecular weight 314.15 g/mol. IUPAC: 2-N-(3-methylphenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.
Chemical Property Profile of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Property Insights of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
The XLogP value of 2.61922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine has 2 hydrogen bond donor(s) and 7 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~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
The CAS number of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine is 672918-68-2.
What is the molecular formula of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
The molecular formula of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine is C15H18N6O2.
What is the molecular weight of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
The molecular weight of N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine is 314.15 g/mol.
Where can I buy N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
You can request a quote for N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)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~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(3-methylphenyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.