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

C9H9F3N6S — CID 106774887

IUPACN-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N6S/c1-13-5-3-6(16-7(15-5)9(10,11)12)19-8-17-14-4-18(8)2/h3-4H,1-2H3,(H,13,15,16)
InChIKeyWNRHVCOGABGCDA-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.82
Rot. Bonds3

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

N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774887) has the molecular formula C9H9F3N6S and a molecular weight of 290.27 g/mol. Its IUPAC name is N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774887
Molecular FormulaC9H9F3N6S
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC NameN-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(Sc2nncn2C)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N6S/c1-13-5-3-6(16-7(15-5)9(10,11)12)19-8-17-14-4-18(8)2/h3-4H,1-2H3,(H,13,15,16)
InChIKeyWNRHVCOGABGCDA-UHFFFAOYSA-N
XLogP1.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-Methyl-4-methylsulfonyl-6-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyrimidine
CID 172330679
2-Tert-butyl-7-(trifluoromethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 176739173
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-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293804
4-Chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine
CID 106768775

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774887) is N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(Sc2nncn2C)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WNRHVCOGABGCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6S/c1-13-5-3-6(16-7(15-5)9(10,11)12)19-8-17-14-4-18(8)2/h3-4H,1-2H3,(H,13,15,16).
What are the key properties of N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 290.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).