2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one

C24H27FN2O2 — CID 68929895

IUPAC2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
SMILESCOc1cccc(-c2nc(C)c(CC(C)C)c(=O)n2CCc2ccccc2)c1F
InChIInChI=1S/C24H27FN2O2/c1-16(2)15-20-17(3)26-23(19-11-8-12-21(29-4)22(19)25)27(24(20)28)14-13-18-9-6-5-7-10-18/h5-12,16H,13-15H2,1-4H3
InChIKeyFBVDEXBSKIRPQS-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.81
Rot. Bonds7

About 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one

2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 68929895) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID68929895
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
SMILESCOc1cccc(-c2nc(C)c(CC(C)C)c(=O)n2CCc2ccccc2)c1F
InChIInChI=1S/C24H27FN2O2/c1-16(2)15-20-17(3)26-23(19-11-8-12-21(29-4)22(19)25)27(24(20)28)14-13-18-9-6-5-7-10-18/h5-12,16H,13-15H2,1-4H3
InChIKeyFBVDEXBSKIRPQS-UHFFFAOYSA-N
XLogP4.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 142989730
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5-propan-2-yloxypyrido[4,3-d]pyrimidin-4-one
CID 71105503
2-(3-benzyl-2-fluorophenyl)-5-(dimethylamino)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 174573403
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775
2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one
CID 68933564
5-(2-fluoro-3-methoxyphenyl)-1-[(2-fluoro-6-methylsulfinylphenyl)methyl]-6-methyl-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 142989735
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
CID 46849277
1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid
CID 142695967
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one
CID 68934354
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
5-cyclopentyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712788

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one (CID 68929895) is 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one is COc1cccc(-c2nc(C)c(CC(C)C)c(=O)n2CCc2ccccc2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is FBVDEXBSKIRPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-16(2)15-20-17(3)26-23(19-11-8-12-21(29-4)22(19)25)27(24(20)28)14-13-18-9-6-5-7-10-18/h5-12,16H,13-15H2,1-4H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one?
2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 394.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 68929895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).