5-anilino-4,6-diphenyl-1H-pyrimidin-2-one

C22H17N3O — CID 134912807

IUPAC5-anilino-4,6-diphenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c(Nc2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H17N3O/c26-22-24-19(16-10-4-1-5-11-16)21(23-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15,23H,(H,24,25,26)
InChIKeyKYFGFELXBHGHFY-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.85
Rot. Bonds4

About 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one

5-anilino-4,6-diphenyl-1H-pyrimidin-2-one (PubChem CID 134912807) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-anilino-4,6-diphenyl-1H-pyrimidin-2-one
PubChem CID134912807
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name5-anilino-4,6-diphenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)c(Nc2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C22H17N3O/c26-22-24-19(16-10-4-1-5-11-16)21(23-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15,23H,(H,24,25,26)
InChIKeyKYFGFELXBHGHFY-UHFFFAOYSA-N
XLogP4.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
CID 632724
ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
CID 129246322
4-anilino-6-methyl-1H-pyrimidin-2-one
CID 13063757
2-oxo-N,4-diphenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidine-5-carboxamide
CID 102369656
6,7-dimethyl-4-phenyl-3H-pteridin-2-one
CID 131856544
4-phenyl-3-(2-phenylhydrazinyl)-1,5-benzodiazepin-2-one
CID 21238883
azane;N-phenylaniline
CID 67074378
3-anilino-2-(2,6-dichloro-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
CID 118607174
4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
CID 144815674
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182
2,5-diamino-4-anilino-1H-pyrimidin-6-one
CID 135850742

Frequently Asked Questions

What is the IUPAC name of 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one?
The IUPAC name of 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one (CID 134912807) is 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)c(Nc2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one?
The InChIKey is KYFGFELXBHGHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22-24-19(16-10-4-1-5-11-16)21(23-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15,23H,(H,24,25,26).
What are the key properties of 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one?
5-anilino-4,6-diphenyl-1H-pyrimidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-4,6-diphenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 134912807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).