4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one

C14H14N2O — CID 135411368

IUPAC4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-9H,1,7H2,2H3,(H,15,16,17)
InChIKeyYFZLXQQUPPACGT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one

4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 135411368) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID135411368
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-9H,1,7H2,2H3,(H,15,16,17)
InChIKeyYFZLXQQUPPACGT-UHFFFAOYSA-N
XLogP2.47
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-3-phenyl-1,2,4-triazin-5-ol
CID 135472887
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
Mls000766271
CID 135431331
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
5,6-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 810712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one (CID 135411368) is 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1c(C)nc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is YFZLXQQUPPACGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-7-12-10(2)15-13(16-14(12)17)11-8-5-4-6-9-11/h3-6,8-9H,1,7H2,2H3,(H,15,16,17).
What are the key properties of 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one?
4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135411368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).