5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine
TL;DR: 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine (CAS 836645-95-5) is a chemical compound with molecular formula C16H20N6O3 and molecular weight 344.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3-methylphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
Also Known As: 4-N-(3-methylphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine, 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine, [4-amino-6-(m-toluidino)-5-nitro-pyrimidin-2-yl]-(tetrahydrofurfuryl)amine, {6-amino-5-nitro-2-[(oxolan-2-ylmethyl)amino]pyrimidin-4-yl}(3-methylphenyl)am ine, 5-nitro-N2-((tetrahydrofuran-2-yl)methyl)-N4-(m-tolyl)pyrimidine-2,4,6-triamine
| Molecular Formula | C16H20N6O3 |
|---|---|
| Molecular Weight | 344.16 g/mol |
| LogP | 2.60992 |
| Topological Polar Surface Area | 128.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.1597 |
| Heavy Atoms | 25 |
| Complexity | 776.4605 |
Chemical Identifiers
| CAS Number | 836645-95-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3CCCO3 |
Product Overview
5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine (CAS 836645-95-5), with molecular formula C16H20N6O3 and molecular weight 344.16 g/mol. IUPAC: 4-N-(3-methylphenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine
Property Insights of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine
The XLogP value of 2.60992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine. The TPSA of 128.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine has 3 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 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine?
The CAS number of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine is 836645-95-5.
What is the molecular formula of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine?
The molecular formula of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine is C16H20N6O3.
What is the molecular weight of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine?
The molecular weight of 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine is 344.16 g/mol.
Where can I buy 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine?
You can request a quote for 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-m-tolyl-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.