2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one

C13H14N4O — CID 135455303

IUPAC2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(/C=N\Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H14N4O/c1-9-12(13(18)16-10(2)15-9)8-14-17-11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,15,16,18)/b14-8-
InChIKeyWRMLQFGXLRNYAT-ZSOIEALJSA-N
MW242.28 g/mol
LogP1.83
Rot. Bonds3

About 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one (PubChem CID 135455303) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one
PubChem CID135455303
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(/C=N\Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H14N4O/c1-9-12(13(18)16-10(2)15-9)8-14-17-11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,15,16,18)/b14-8-
InChIKeyWRMLQFGXLRNYAT-ZSOIEALJSA-N
XLogP1.83
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135455301
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822
1-[(2S)-butan-2-yl]-6-hydroxy-5-[(E)-(phenylhydrazinylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 135830730
N-[(2-iodo-6-methylphenyl)methylideneamino]aniline
CID 169384048
N-[[4-methyl-6-[(phenylhydrazinylidene)methyl]-2-pyridinyl]methylideneamino]aniline;neodymium(3+);trichloride
CID 173244129
6-hydroxy-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 135543185
5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
CID 136676848
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]aniline
CID 7301273
N-[(6-methylquinolin-5-yl)methylideneamino]aniline
CID 169382791
3-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135447264
1-[(4-fluorophenyl)methyl]-6-hydroxy-5-[(phenylhydrazinylidene)methyl]-2-sulfanylidenepyrimidin-4-one
CID 3733071

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one (CID 135455303) is 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one is Cc1nc(C)c(/C=N\Nc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one?
The InChIKey is WRMLQFGXLRNYAT-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-12(13(18)16-10(2)15-9)8-14-17-11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,15,16,18)/b14-8-.
What are the key properties of 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135455303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).