4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one

C15H16N2O — CID 135449249

IUPAC4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N2O/c1-10(2)9-13-11(3)16-14(17-15(13)18)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3,(H,16,17,18)
InChIKeyKCJSRFXVABQXRY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.86
Rot. Bonds3

About 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one

4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 135449249) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID135449249
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N2O/c1-10(2)9-13-11(3)16-14(17-15(13)18)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3,(H,16,17,18)
InChIKeyKCJSRFXVABQXRY-UHFFFAOYSA-N
XLogP2.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one (CID 135449249) is 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one is C=C(C)Cc1c(C)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is KCJSRFXVABQXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10(2)9-13-11(3)16-14(17-15(13)18)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3,(H,16,17,18).
What are the key properties of 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one?
4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylprop-2-enyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135449249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).