4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine

C15H19F3N6S — CID 126453410

IUPAC4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)ncc1CSc1nnc([C@@H]2CCCNC2)n1C
InChIInChI=1S/C15H19F3N6S/c1-9-11(7-20-13(21-9)15(16,17)18)8-25-14-23-22-12(24(14)2)10-4-3-5-19-6-10/h7,10,19H,3-6,8H2,1-2H3/t10-/m1/s1
InChIKeyMLRFEZZIGOJASU-SNVBAGLBSA-N
MW372.42 g/mol
LogP2.69
Rot. Bonds4

About 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine

4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 126453410) has the molecular formula C15H19F3N6S and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine
PubChem CID126453410
Molecular FormulaC15H19F3N6S
Molecular Weight372.42 g/mol
Exact Mass372.13
IUPAC Name4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)ncc1CSc1nnc([C@@H]2CCCNC2)n1C
InChIInChI=1S/C15H19F3N6S/c1-9-11(7-20-13(21-9)15(16,17)18)8-25-14-23-22-12(24(14)2)10-4-3-5-19-6-10/h7,10,19H,3-6,8H2,1-2H3/t10-/m1/s1
InChIKeyMLRFEZZIGOJASU-SNVBAGLBSA-N
XLogP2.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

(3R)-3-[5-[(2-fluoro-4,5-dimethoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 126450905
4-methyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole;hydrochloride
CID 154906164
2-methyl-5-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 121496030
2-methyl-5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-thiadiazole
CID 126426132
(3R)-3-[5-(5-fluoropentylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 126447370
3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 126433718
acetic acid;3-[4-methyl-5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 154907670
2-methyl-5-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 125448429
(3R)-3-[4-methyl-5-(2-pyrazol-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 126441913
2-methyl-6-[2-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
CID 126433916
acetic acid;5-tert-butyl-4-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxamide
CID 154907963
5-(furan-2-yl)-3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 126444004

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine (CID 126453410) is 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)ncc1CSc1nnc([C@@H]2CCCNC2)n1C.
What is the InChIKey of 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is MLRFEZZIGOJASU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19F3N6S/c1-9-11(7-20-13(21-9)15(16,17)18)8-25-14-23-22-12(24(14)2)10-4-3-5-19-6-10/h7,10,19H,3-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine?
4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 372.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 126453410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).