N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
TL;DR: N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine (CAS 716340-91-9) is a chemical compound with molecular formula C12H20N6O3 and molecular weight 296.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3-methoxypropyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
Also Known As: AB00773364-01, (4-amino-5-nitro-6-pyrrolidinylpyrimidin-2-yl)(3-methoxypropyl)amine, 2-N-(3-methoxypropyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine, N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine, N2-(3-METHOXYPROPYL)-5-NITRO-6-(PYRROLIDIN-1-YL)PYRIMIDINE-2,4-DIAMINE
| Molecular Formula | C12H20N6O3 |
|---|---|
| Molecular Weight | 296.16 g/mol |
| LogP | 1.0156 |
| Topological Polar Surface Area | 119.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.1597 |
| Heavy Atoms | 21 |
| Complexity | 504.0113 |
Chemical Identifiers
| CAS Number | 716340-91-9 |
|---|---|
| SMILES | COCCCNC1=NC(=C(C(=N1)N2CCCC2)[N+](=O)[O-])N |
Product Overview
N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine (CAS 716340-91-9), with molecular formula C12H20N6O3 and molecular weight 296.16 g/mol. IUPAC: 2-N-(3-methoxypropyl)-5-nitro-6-pyrrolidin-1-ylpyrimidine-2,4-diamine.
Chemical Property Profile of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
Property Insights of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine
The XLogP value of 1.0156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine. The TPSA of 119.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine has 2 hydrogen bond donor(s) and 8 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-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
The CAS number of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine is 716340-91-9.
What is the molecular formula of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
The molecular formula of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine is C12H20N6O3.
What is the molecular weight of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
The molecular weight of N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine is 296.16 g/mol.
Where can I buy N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
You can request a quote for N~2~-(3-methoxypropyl)-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-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-(3-methoxypropyl)-5-nitro-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.