![1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione structure](/static/products/4138/41388-01-6.webp)
1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione
TL;DR: 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione (CAS 41388-01-6) is a chemical compound with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione
Also Known As: EINECS 255-346-7, 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione, 1-((2,4-Dinitrophenyl)amino)-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione, 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione, 1-(2,4-Dinitroanilino)-4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol
| Molecular Formula | C13H15N5O4S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 2.7024 |
| Topological Polar Surface Area | 113.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.08447 |
| Heavy Atoms | 23 |
| Complexity | 731.07513 |
Chemical Identifiers
| CAS Number | 41388-01-6 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])(C)C |
Product Overview
1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione (CAS 41388-01-6), with molecular formula C13H15N5O4S and molecular weight 337.08 g/mol. IUPAC: 3-(2,4-dinitroanilino)-4,6,6-trimethyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione
Property Insights of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione
The XLogP value of 2.7024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione. The TPSA of 113.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione. Following Lipinski's Rule of Five, 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione has 2 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 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione?
The CAS number of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione is 41388-01-6.
What is the molecular formula of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione?
The molecular formula of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione is C13H15N5O4S.
What is the molecular weight of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione?
The molecular weight of 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione is 337.08 g/mol.
Where can I buy 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione?
You can request a quote for 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,4-dinitrophenyl)amino]-3,4-dihydro-4,4,6-trimethyl-1H-pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.