2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine

C15H14FN5O — CID 130309441

IUPAC2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1
InChIInChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-12-8-21(20-19-12)13-3-4-14(16)11(2)5-13/h3-8H,9H2,1-2H3
InChIKeyXVXPBMJKCJQWIF-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.39
Rot. Bonds4

About 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine

2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine (PubChem CID 130309441) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
PubChem CID130309441
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
SMILESCc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1
InChIInChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-12-8-21(20-19-12)13-3-4-14(16)11(2)5-13/h3-8H,9H2,1-2H3
InChIKeyXVXPBMJKCJQWIF-UHFFFAOYSA-N
XLogP2.39
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309886
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302350
2-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309435
2-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302319
2-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309889
2-[[1-(4-fluoro-2-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309762
2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309646
(1S)-1-[2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 175152325
2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
CID 130309921
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(3-fluoro-3-methylazetidin-1-yl)pyrimidine
CID 130309711
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-(3-fluorocyclobutyl)pyrimidine
CID 138623339
2-[2-[[1-(3-cyclobutyl-4-fluorophenyl)triazol-4-yl]methoxy]pyrimidin-5-yl]propan-2-ol
CID 130309519

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine (CID 130309441) is 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine is Cc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1.
What is the InChIKey of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
The InChIKey is XVXPBMJKCJQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-12-8-21(20-19-12)13-3-4-14(16)11(2)5-13/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine?
2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine has a molecular weight of 299.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 130309441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).