3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one

C25H21N3O2 — CID 170789543

IUPAC3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one
SMILESCC(=O)Cn1c(-c2ccccc2)ncc(Nc2cccc(-c3ccccc3)c2)c1=O
InChIInChI=1S/C25H21N3O2/c1-18(29)17-28-24(20-11-6-3-7-12-20)26-16-23(25(28)30)27-22-14-8-13-21(15-22)19-9-4-2-5-10-19/h2-16,27H,17H2,1H3
InChIKeyUUHLYGVBMIIJBP-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.91
Rot. Bonds6

About 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one

3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one (PubChem CID 170789543) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one
PubChem CID170789543
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one
SMILESCC(=O)Cn1c(-c2ccccc2)ncc(Nc2cccc(-c3ccccc3)c2)c1=O
InChIInChI=1S/C25H21N3O2/c1-18(29)17-28-24(20-11-6-3-7-12-20)26-16-23(25(28)30)27-22-14-8-13-21(15-22)19-9-4-2-5-10-19/h2-16,27H,17H2,1H3
InChIKeyUUHLYGVBMIIJBP-UHFFFAOYSA-N
XLogP4.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-fluorophenyl)anilino]-3-(2-oxopropyl)-2-phenylpyrimidin-4-one
CID 170789355
2-[[2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 23139554
2-[5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 91284759
2-[5-benzamido-2-(3-bromophenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10159611
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794
(3-phenylphenyl)carbamic acid
CID 611602
2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 175993533
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637
2-[5-[3-butan-2-yl-4-(2-methylphenyl)anilino]-6-oxo-2-phenylpyrimidin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-yl)acetamide
CID 170789297
2-(3-phenylanilino)benzamide
CID 44596232
N-[1-[2-(tert-butylamino)-2-oxoethyl]-2-(3-methylphenyl)-6-oxopyrimidin-5-yl]-4-chlorobutanamide
CID 143367043

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one?
The IUPAC name of 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one (CID 170789543) is 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one?
The canonical SMILES for 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one is CC(=O)Cn1c(-c2ccccc2)ncc(Nc2cccc(-c3ccccc3)c2)c1=O.
What is the InChIKey of 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one?
The InChIKey is UUHLYGVBMIIJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-18(29)17-28-24(20-11-6-3-7-12-20)26-16-23(25(28)30)27-22-14-8-13-21(15-22)19-9-4-2-5-10-19/h2-16,27H,17H2,1H3.
What are the key properties of 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one?
3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one has a molecular weight of 395.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one is sourced from PubChem (CID 170789543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).