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

C11H13F3N6S — CID 106774890

IUPAC6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6S/c1-3-4-15-7-5-8(18-9(17-7)11(12,13)14)21-10-19-16-6-20(10)2/h5-6H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyYEHNGTZVJQDVOU-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.60
Rot. Bonds5

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

6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774890) has the molecular formula C11H13F3N6S and a molecular weight of 318.33 g/mol. Its IUPAC name is 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774890
Molecular FormulaC11H13F3N6S
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6S/c1-3-4-15-7-5-8(18-9(17-7)11(12,13)14)21-10-19-16-6-20(10)2/h5-6H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyYEHNGTZVJQDVOU-UHFFFAOYSA-N
XLogP2.60
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

4-(3,4,4,4-Tetrafluorobutylsulfanyl)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 70842877
4-(2,2,3,4,4,4-Hexafluorobutylsulfanyl)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 87548240
2-Tert-butyl-7-(trifluoromethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 176739173
5-fluoro-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882688
N-ethyl-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882691
5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80883791
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80888934
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80889369
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80889536
4-Fluoro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603367
6-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 105940426
6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293804

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774890) is 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Sc2nncn2C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YEHNGTZVJQDVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6S/c1-3-4-15-7-5-8(18-9(17-7)11(12,13)14)21-10-19-16-6-20(10)2/h5-6H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 318.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).