3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one

C23H20N2O — CID 609974

IUPAC3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
SMILESCc1ccc(N2C(=O)NC(c3ccccc3)=CC2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O/c1-17-12-14-20(15-13-17)25-22(19-10-6-3-7-11-19)16-21(24-23(25)26)18-8-4-2-5-9-18/h2-16,22H,1H3,(H,24,26)
InChIKeyPDQSBWSUMQXZEJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.31
Rot. Bonds3

About 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one

3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one (PubChem CID 609974) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
PubChem CID609974
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one
SMILESCc1ccc(N2C(=O)NC(c3ccccc3)=CC2c2ccccc2)cc1
InChIInChI=1S/C23H20N2O/c1-17-12-14-20(15-13-17)25-22(19-10-6-3-7-11-19)16-21(24-23(25)26)18-8-4-2-5-9-18/h2-16,22H,1H3,(H,24,26)
InChIKeyPDQSBWSUMQXZEJ-UHFFFAOYSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
(7S)-5-(4-methylphenyl)-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 686429
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
1-[5-(4-methylphenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
CID 3075113
1-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
CID 1287313
(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 136915736
N-[(7S)-7-(4-methylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 136721682
(5S)-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 2376088
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
1-(4-methylphenyl)-6-phenylpiperazine-2,5-dione
CID 64959343
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one (CID 609974) is 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one is Cc1ccc(N2C(=O)NC(c3ccccc3)=CC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one?
The InChIKey is PDQSBWSUMQXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-12-14-20(15-13-17)25-22(19-10-6-3-7-11-19)16-21(24-23(25)26)18-8-4-2-5-9-18/h2-16,22H,1H3,(H,24,26).
What are the key properties of 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one?
3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,6-diphenyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 609974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).