5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one

C24H20N2O2 — CID 102458548

IUPAC5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one
SMILESCc1ccc(Oc2ncc(Cc3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-18-12-14-22(15-13-18)28-24-25-17-20(16-19-8-4-2-5-9-19)23(27)26(24)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3
InChIKeyNYPSGRNAZUHWDI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.92
Rot. Bonds5

About 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one

5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one (PubChem CID 102458548) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one
PubChem CID102458548
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one
SMILESCc1ccc(Oc2ncc(Cc3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-18-12-14-22(15-13-18)28-24-25-17-20(16-19-8-4-2-5-9-19)23(27)26(24)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3
InChIKeyNYPSGRNAZUHWDI-UHFFFAOYSA-N
XLogP4.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-(diethylamino)-3-phenylpyrimidin-4-one
CID 102458543
3-benzyl-8-methylpyrimido[2,1-b][1,3]benzothiazol-4-one
CID 53486641
3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
CID 10638735
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene
CID 174428153
5-(4-methoxyphenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2275304
4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
CID 174232254
benzylbenzene;methoxymethane
CID 161110966
2-[5-benzyl-4-hydroxy-1-(4-methylphenyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 135438995
7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 131723052

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one?
The IUPAC name of 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one (CID 102458548) is 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one.
What is the SMILES notation for 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one?
The canonical SMILES for 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one is Cc1ccc(Oc2ncc(Cc3ccccc3)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one?
The InChIKey is NYPSGRNAZUHWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-18-12-14-22(15-13-18)28-24-25-17-20(16-19-8-4-2-5-9-19)23(27)26(24)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3.
What are the key properties of 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one?
5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-methylphenoxy)-3-phenylpyrimidin-4-one is sourced from PubChem (CID 102458548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).