5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one

C26H25FN4O — CID 18767931

IUPAC5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCC(CCc1ccccc1)Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C
InChIInChI=1S/C26H25FN4O/c1-18(8-9-19-6-4-3-5-7-19)29-26-30-24(21-14-16-28-17-15-21)23(25(32)31(26)2)20-10-12-22(27)13-11-20/h3-7,10-18H,8-9H2,1-2H3,(H,29,30)
InChIKeySXVAZMFHPXNSKH-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.08
Rot. Bonds7

About 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one

5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 18767931) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID18767931
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCC(CCc1ccccc1)Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C
InChIInChI=1S/C26H25FN4O/c1-18(8-9-19-6-4-3-5-7-19)29-26-30-24(21-14-16-28-17-15-21)23(25(32)31(26)2)20-10-12-22(27)13-11-20/h3-7,10-18H,8-9H2,1-2H3,(H,29,30)
InChIKeySXVAZMFHPXNSKH-UHFFFAOYSA-N
XLogP5.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one (CID 18767931) is 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one is CC(CCc1ccccc1)Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c(=O)n1C.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is SXVAZMFHPXNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c1-18(8-9-19-6-4-3-5-7-19)29-26-30-24(21-14-16-28-17-15-21)23(25(32)31(26)2)20-10-12-22(27)13-11-20/h3-7,10-18H,8-9H2,1-2H3,(H,29,30).
What are the key properties of 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one?
5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 428.51 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-2-(4-phenylbutan-2-ylamino)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 18767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).