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

C16H16FN5O — CID 130309755

IUPAC2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine
SMILESCc1cc(-n2cc(COc3ncc(C)c(C)n3)nn2)ccc1F
InChIInChI=1S/C16H16FN5O/c1-10-6-14(4-5-15(10)17)22-8-13(20-21-22)9-23-16-18-7-11(2)12(3)19-16/h4-8H,9H2,1-3H3
InChIKeyRLECKJBCGVCNBU-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.70
Rot. Bonds4

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

2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine (PubChem CID 130309755) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine.

Molecular Properties

Compound Name2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine
PubChem CID130309755
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine
SMILESCc1cc(-n2cc(COc3ncc(C)c(C)n3)nn2)ccc1F
InChIInChI=1S/C16H16FN5O/c1-10-6-14(4-5-15(10)17)22-8-13(20-21-22)9-23-16-18-7-11(2)12(3)19-16/h4-8H,9H2,1-3H3
InChIKeyRLECKJBCGVCNBU-UHFFFAOYSA-N
XLogP2.70
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine?
The IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine (CID 130309755) is 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine.
What is the SMILES notation for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine?
The canonical SMILES for 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine is Cc1cc(-n2cc(COc3ncc(C)c(C)n3)nn2)ccc1F.
What is the InChIKey of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine?
The InChIKey is RLECKJBCGVCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-10-6-14(4-5-15(10)17)22-8-13(20-21-22)9-23-16-18-7-11(2)12(3)19-16/h4-8H,9H2,1-3H3.
What are the key properties of 2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine?
2-[[1-(4-fluoro-3-methylphenyl)triazol-4-yl]methoxy]-4,5-dimethylpyrimidine has a molecular weight of 313.34 g/mol, XLogP of 2.70, 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]-4,5-dimethylpyrimidine is sourced from PubChem (CID 130309755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).