2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one

C13H12N2O2 — CID 137224250

IUPAC2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/C=C(\O)c2ccccc2)n1
InChIInChI=1S/C13H12N2O2/c1-9-7-13(17)15-12(14-9)8-11(16)10-5-3-2-4-6-10/h2-8,16H,1H3,(H,14,15,17)/b11-8-
InChIKeyPNBIGABWIQYFIO-FLIBITNWSA-N
MW228.25 g/mol
LogP2.13
Rot. Bonds2

About 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one

2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137224250) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137224250
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(/C=C(\O)c2ccccc2)n1
InChIInChI=1S/C13H12N2O2/c1-9-7-13(17)15-12(14-9)8-11(16)10-5-3-2-4-6-10/h2-8,16H,1H3,(H,14,15,17)/b11-8-
InChIKeyPNBIGABWIQYFIO-FLIBITNWSA-N
XLogP2.13
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
CID 135585315
2-[2-(3-fluorophenyl)ethenyl]-4-methyl-1H-pyrimidin-6-one
CID 136658949
4-methyl-2-[2-(2,3,4-trifluorophenyl)ethenyl]-1H-pyrimidin-6-one
CID 136653936
2-[(2E)-2-[(E)-1,3-diphenylbut-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136795191
4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135592196
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
CID 135463212
3-[(E)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethenyl]benzonitrile
CID 135767237
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-benzylselanyl-4-methyl-1H-pyrimidin-6-one
CID 136704053
4-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 135495034
2-[(4E)-4-ethylidene-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137242206
2-amino-4-methyl-1H-pyrimidin-6-one;prop-2-enoic acid
CID 175047619

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one (CID 137224250) is 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(/C=C(\O)c2ccccc2)n1.
What is the InChIKey of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PNBIGABWIQYFIO-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-7-13(17)15-12(14-9)8-11(16)10-5-3-2-4-6-10/h2-8,16H,1H3,(H,14,15,17)/b11-8-.
What are the key properties of 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one?
2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137224250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).