![6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine structure](/static/products/1183/118344-67-5.webp)
6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
TL;DR: 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine (CAS 118344-67-5) is a chemical compound with molecular formula C13H16N6O2 and molecular weight 288.13348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
Also Known As: 3-isopropenyl-3H-isobenzofuran-1-one, 6-ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine, NCI60_003642, 2, 6-ethyl-5-[4-(methylamino)- 3-nitrophenyl]-, 6-Ethyl-5-(4-(methylamino)-3-nitrophenyl)pyrimidine-2,4-diamine
Technical Specifications
| Molecular Formula | C13H16N6O2 |
| Molecular Weight | 288.13348 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.13348 Da |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC)[N+](=O)[O-] |
| InChIKey | UEBWOKUSTFIFOC-UHFFFAOYSA-N |
Chemical Property Profile of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
Property Insights of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine. Following Lipinski's Rule of Five, 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
The CAS number of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine is 118344-67-5.
What is the molecular formula of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
The molecular formula of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine is C13H16N6O2.
What is the molecular weight of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
The molecular weight of 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine is 288.13348 g/mol.
Where can I buy 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
You can request a quote for 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine?
Yes, CoreyChem provides custom synthesis services for 6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.