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

C16H16FN5O — CID 130309430

IUPAC5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine
SMILESCCc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1
InChIInChI=1S/C16H16FN5O/c1-3-12-7-18-16(19-8-12)23-10-13-9-22(21-20-13)14-4-5-15(17)11(2)6-14/h4-9H,3,10H2,1-2H3
InChIKeyYJAJDLDVLWXMHC-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.65
Rot. Bonds5

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

5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309430) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID130309430
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine
SMILESCCc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1
InChIInChI=1S/C16H16FN5O/c1-3-12-7-18-16(19-8-12)23-10-13-9-22(21-20-13)14-4-5-15(17)11(2)6-14/h4-9H,3,10H2,1-2H3
InChIKeyYJAJDLDVLWXMHC-UHFFFAOYSA-N
XLogP2.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine (CID 130309430) is 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine is CCc1cnc(OCc2cn(-c3ccc(F)c(C)c3)nn2)nc1.
What is the InChIKey of 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is YJAJDLDVLWXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-3-12-7-18-16(19-8-12)23-10-13-9-22(21-20-13)14-4-5-15(17)11(2)6-14/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine?
5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine has a molecular weight of 313.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).