[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol

C15H12F3N5O — CID 91596828

IUPAC[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol
SMILESOCc1nc(Cn2cncn2)nc(-c2ccc(F)cc2F)c1CF
InChIInChI=1S/C15H12F3N5O/c16-4-11-13(6-24)21-14(5-23-8-19-7-20-23)22-15(11)10-2-1-9(17)3-12(10)18/h1-3,7-8,24H,4-6H2
InChIKeyMMRGXSVJGBGHDD-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.02
Rot. Bonds5

About [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol

[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol (PubChem CID 91596828) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol
PubChem CID91596828
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol
SMILESOCc1nc(Cn2cncn2)nc(-c2ccc(F)cc2F)c1CF
InChIInChI=1S/C15H12F3N5O/c16-4-11-13(6-24)21-14(5-23-8-19-7-20-23)22-15(11)10-2-1-9(17)3-12(10)18/h1-3,7-8,24H,4-6H2
InChIKeyMMRGXSVJGBGHDD-UHFFFAOYSA-N
XLogP2.02
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol with MolForge

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Related Compounds

4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 164652226
3-[5-fluoro-2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-yn-1-ol
CID 54970141
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
CID 7162035
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
5-fluoro-2-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 63292739
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776
(2R,3S)-3-(2,4-difluorophenyl)-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
CID 102467920
2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol
CID 59165295

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol (CID 91596828) is [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol is OCc1nc(Cn2cncn2)nc(-c2ccc(F)cc2F)c1CF.
What is the InChIKey of [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol?
The InChIKey is MMRGXSVJGBGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-4-11-13(6-24)21-14(5-23-8-19-7-20-23)22-15(11)10-2-1-9(17)3-12(10)18/h1-3,7-8,24H,4-6H2.
What are the key properties of [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol?
[6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol has a molecular weight of 335.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-difluorophenyl)-5-(fluoromethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 91596828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).