6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H11F3N6 — CID 106773475

IUPAC6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(-n2nc(C)nc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6/c1-5-15-6(2)19(18-5)8-4-7(14-3)16-9(17-8)10(11,12)13/h4H,1-3H3,(H,14,16,17)
InChIKeyFALYNTYSIUPHPR-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.73
Rot. Bonds2

About 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773475) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773475
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(-n2nc(C)nc2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6/c1-5-15-6(2)19(18-5)8-4-7(14-3)16-9(17-8)10(11,12)13/h4H,1-3H3,(H,14,16,17)
InChIKeyFALYNTYSIUPHPR-UHFFFAOYSA-N
XLogP1.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773475) is 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(-n2nc(C)nc2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FALYNTYSIUPHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-5-15-6(2)19(18-5)8-4-7(14-3)16-9(17-8)10(11,12)13/h4H,1-3H3,(H,14,16,17).
What are the key properties of 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 272.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).