3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one

C15H18N2O — CID 141080903

IUPAC3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCc1ncn(Cc2ccccc2)c(=O)c1C(C)C
InChIInChI=1S/C15H18N2O/c1-11(2)14-12(3)16-10-17(15(14)18)9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3
InChIKeyFMNOIBREDHBRHM-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.72
Rot. Bonds3

About 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one

3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 141080903) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID141080903
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCc1ncn(Cc2ccccc2)c(=O)c1C(C)C
InChIInChI=1S/C15H18N2O/c1-11(2)14-12(3)16-10-17(15(14)18)9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3
InChIKeyFMNOIBREDHBRHM-UHFFFAOYSA-N
XLogP2.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110171162
3-benzyl-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 59823050
5-bromo-6-methyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 66308769
3-benzyl-5-methyl-4-oxo-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 110496526
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
5-bromo-6-methyl-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 66308350
7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 3041753
3-methyl-5-[(4-propan-2-ylphenyl)methyl]-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 166235559
3,6-dibenzyltriazolo[4,5-d]pyrimidin-7-one
CID 561455

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one (CID 141080903) is 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one is Cc1ncn(Cc2ccccc2)c(=O)c1C(C)C.
What is the InChIKey of 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is FMNOIBREDHBRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)14-12(3)16-10-17(15(14)18)9-13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one?
3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 242.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 141080903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).