2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)
TL;DR: 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) (CAS 5329-52-2) is a chemical compound with molecular formula C13H16N6O7 and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-1H-pyrimidin-2-amine;2,4,6-trinitrophenol
Also Known As: 4-Methyl-1,1,1,2,3,3-hexafluoropentane, 2,4,6-trinitrophenol- 4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1), 4,4,6-trimethyl-1H-pyrimidin-2-amine,2,4,6-trinitrophenol, 4,4,6-trimethyl-1H-pyrimidin-2-amine; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)
| Molecular Formula | C13H16N6O7 |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 1.7035 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 368.10803 |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 5329-52-2 |
|---|---|
| SMILES | CC1=CC(N=C(N1)N)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OJXTXWNBSYDXHA-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) (CAS 5329-52-2), with molecular formula C13H16N6O7 and molecular weight 368.11 g/mol. IUPAC: 4,4,6-trimethyl-1H-pyrimidin-2-amine;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)
Property Insights of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)
The XLogP value of 1.7035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1). The TPSA of 208.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) 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 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)?
The CAS number of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) is 5329-52-2.
What is the molecular formula of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)?
The molecular formula of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) is C13H16N6O7.
What is the molecular weight of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)?
The molecular weight of 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) is 368.11 g/mol.
Where can I buy 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)?
You can request a quote for 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol-4,4,6-trimethyl-1,4-dihydropyrimidin-2-amine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.