2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine

C16H15F2N5O — CID 130309921

IUPAC2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
SMILESCCc1cnc(OCc2cn(-c3cc(C)c(F)cc3F)nn2)nc1
InChIInChI=1S/C16H15F2N5O/c1-3-11-6-19-16(20-7-11)24-9-12-8-23(22-21-12)15-4-10(2)13(17)5-14(15)18/h4-8H,3,9H2,1-2H3
InChIKeyGODVVKGBJFPWQY-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.79
Rot. Bonds5

About 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine

2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine (PubChem CID 130309921) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
PubChem CID130309921
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine
SMILESCCc1cnc(OCc2cn(-c3cc(C)c(F)cc3F)nn2)nc1
InChIInChI=1S/C16H15F2N5O/c1-3-11-6-19-16(20-7-11)24-9-12-8-23(22-21-12)15-4-10(2)13(17)5-14(15)18/h4-8H,3,9H2,1-2H3
InChIKeyGODVVKGBJFPWQY-UHFFFAOYSA-N
XLogP2.79
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
The IUPAC name of 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine (CID 130309921) is 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine.
What is the SMILES notation for 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
The canonical SMILES for 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine is CCc1cnc(OCc2cn(-c3cc(C)c(F)cc3F)nn2)nc1.
What is the InChIKey of 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
The InChIKey is GODVVKGBJFPWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-3-11-6-19-16(20-7-11)24-9-12-8-23(22-21-12)15-4-10(2)13(17)5-14(15)18/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine?
2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine has a molecular weight of 331.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-difluoro-5-methylphenyl)triazol-4-yl]methoxy]-5-ethylpyrimidine is sourced from PubChem (CID 130309921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).