5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one

C24H20N2O2 — CID 632724

IUPAC5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCc1ccc(Oc2c(-c3ccccc3)nc(=O)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-16-8-12-19(13-9-16)22-23(28-20-14-10-17(2)11-15-20)21(25-24(27)26-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,26,27)
InChIKeyNUJFKRMEVIWFRN-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.51
Rot. Bonds4

About 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one

5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one (PubChem CID 632724) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
PubChem CID632724
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one
SMILESCc1ccc(Oc2c(-c3ccccc3)nc(=O)[nH]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H20N2O2/c1-16-8-12-19(13-9-16)22-23(28-20-14-10-17(2)11-15-20)21(25-24(27)26-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,26,27)
InChIKeyNUJFKRMEVIWFRN-UHFFFAOYSA-N
XLogP5.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-phenyl-1H-quinazolin-2-one
CID 159100188
2-methyl-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 158996329
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
6-(4-methoxyphenyl)-4-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,5,7-trione
CID 132542480
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 57100935
5-anilino-4,6-diphenyl-1H-pyrimidin-2-one
CID 134912807
4-[4-(3-phenylphenyl)phenyl]-1H-quinazolin-2-one
CID 144815674
2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
CID 58692908
6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one
CID 83850270
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
6,7-dimethyl-4-phenyl-3H-pteridin-2-one
CID 131856544
2-chloro-5-phenoxy-4,6-diphenylpyrimidine
CID 13327262

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one (CID 632724) is 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one is Cc1ccc(Oc2c(-c3ccccc3)nc(=O)[nH]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is NUJFKRMEVIWFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-8-12-19(13-9-16)22-23(28-20-14-10-17(2)11-15-20)21(25-24(27)26-22)18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,26,27).
What are the key properties of 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one?
5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 368.44 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)-6-(4-methylphenyl)-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 632724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).