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

C14H10F3N5O — CID 130309875

IUPAC2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine
SMILESCc1nc(OCc2cn(-c3cccc(F)c3F)nn2)ncc1F
InChIInChI=1S/C14H10F3N5O/c1-8-11(16)5-18-14(19-8)23-7-9-6-22(21-20-9)12-4-2-3-10(15)13(12)17/h2-6H,7H2,1H3
InChIKeyJWBKTOPCJJMRNG-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.36
Rot. Bonds4

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

2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine (PubChem CID 130309875) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine.

Molecular Properties

Compound Name2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine
PubChem CID130309875
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine
SMILESCc1nc(OCc2cn(-c3cccc(F)c3F)nn2)ncc1F
InChIInChI=1S/C14H10F3N5O/c1-8-11(16)5-18-14(19-8)23-7-9-6-22(21-20-9)12-4-2-3-10(15)13(12)17/h2-6H,7H2,1H3
InChIKeyJWBKTOPCJJMRNG-UHFFFAOYSA-N
XLogP2.36
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine?
The IUPAC name of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine (CID 130309875) is 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine.
What is the SMILES notation for 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine?
The canonical SMILES for 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine is Cc1nc(OCc2cn(-c3cccc(F)c3F)nn2)ncc1F.
What is the InChIKey of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine?
The InChIKey is JWBKTOPCJJMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c1-8-11(16)5-18-14(19-8)23-7-9-6-22(21-20-9)12-4-2-3-10(15)13(12)17/h2-6H,7H2,1H3.
What are the key properties of 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine?
2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine has a molecular weight of 321.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-difluorophenyl)triazol-4-yl]methoxy]-5-fluoro-4-methylpyrimidine is sourced from PubChem (CID 130309875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).