4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H12F3N7 — CID 106304450

IUPAC4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCn1cnnc1CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7/c1-2-20-5-16-19-8(20)4-15-7-3-6(14)17-9(18-7)10(11,12)13/h3,5H,2,4H2,1H3,(H3,14,15,17,18)
InChIKeyAFPMAASHCFKZDG-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.30
Rot. Bonds4

About 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106304450) has the molecular formula C10H12F3N7 and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106304450
Molecular FormulaC10H12F3N7
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCn1cnnc1CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N7/c1-2-20-5-16-19-8(20)4-15-7-3-6(14)17-9(18-7)10(11,12)13/h3,5H,2,4H2,1H3,(H3,14,15,17,18)
InChIKeyAFPMAASHCFKZDG-UHFFFAOYSA-N
XLogP1.30
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771685
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
6-bromo-2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114170989
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 106304598
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106304580
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106304478
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952653
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106304559
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106304450) is 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCn1cnnc1CNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is AFPMAASHCFKZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7/c1-2-20-5-16-19-8(20)4-15-7-3-6(14)17-9(18-7)10(11,12)13/h3,5H,2,4H2,1H3,(H3,14,15,17,18).
What are the key properties of 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 287.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106304450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).