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

C10H11F3N6S — CID 106775201

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)n2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S/c1-5-17-18-9(19(5)3)20-7-4-6(14-2)15-8(16-7)10(11,12)13/h4H,1-3H3,(H,14,15,16)
InChIKeyVVXIMAZYDQFHOO-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.13
Rot. Bonds3

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

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775201) has the molecular formula C10H11F3N6S and a molecular weight of 304.30 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775201
Molecular FormulaC10H11F3N6S
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)n2C)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6S/c1-5-17-18-9(19(5)3)20-7-4-6(14-2)15-8(16-7)10(11,12)13/h4H,1-3H3,(H,14,15,16)
InChIKeyVVXIMAZYDQFHOO-UHFFFAOYSA-N
XLogP2.13
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775201) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nnc(C)n2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VVXIMAZYDQFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6S/c1-5-17-18-9(19(5)3)20-7-4-6(14-2)15-8(16-7)10(11,12)13/h4H,1-3H3,(H,14,15,16).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).