2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C24H21FN4O2 — CID 18767920

IUPAC2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1ccccc1O)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C
InChIInChI=1S/C24H21FN4O2/c1-3-29(19-6-4-5-7-20(19)30)24-27-22(17-12-14-26-15-13-17)21(23(31)28(24)2)16-8-10-18(25)11-9-16/h4-15,30H,3H2,1-2H3
InChIKeyOCWLPRQJISSVGW-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.51
Rot. Bonds5

About 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 18767920) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID18767920
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(c1ccccc1O)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C
InChIInChI=1S/C24H21FN4O2/c1-3-29(19-6-4-5-7-20(19)30)24-27-22(17-12-14-26-15-13-17)21(23(31)28(24)2)16-8-10-18(25)11-9-16/h4-15,30H,3H2,1-2H3
InChIKeyOCWLPRQJISSVGW-UHFFFAOYSA-N
XLogP4.51
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 18767920) is 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is CCN(c1ccccc1O)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C.
What is the InChIKey of 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is OCWLPRQJISSVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-3-29(19-6-4-5-7-20(19)30)24-27-22(17-12-14-26-15-13-17)21(23(31)28(24)2)16-8-10-18(25)11-9-16/h4-15,30H,3H2,1-2H3.
What are the key properties of 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 416.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 18767920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).