4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one

C14H14N4O — CID 135454405

IUPAC4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C=C/c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H2,16,17,18,19)/b8-5+,15-9+
InChIKeyPDBMAISMFGGOFJ-MSNJMMSUSA-N
MW254.29 g/mol
LogP2.19
Rot. Bonds4

About 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135454405) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135454405
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/C=C/c2ccccc2)n1
InChIInChI=1S/C14H14N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H2,16,17,18,19)/b8-5+,15-9+
InChIKeyPDBMAISMFGGOFJ-MSNJMMSUSA-N
XLogP2.19
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.19
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

(E)-6-methyl-2-(2-(2-phenylpropylidene)hydrazinyl)pyrimidin-4(3H)-one
CID 135412004
Benzaldehyde (2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazone
CID 9609673
2-[N'-(3-Bromo-benzylidene)-hydrazino]-6-methyl-pyrimidin-4-ol
CID 135537505
2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676154
(1E)-3-phenylpropanal (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135412007
2-Chlorobenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135421727
(1E,2E)-2-methyl-3-phenylacrylaldehyde (5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 6863503
3-Phenylacrylaldehyde (6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135412169
(1E,2E)-2-methyl-3-phenylacrylaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135433183
2-Methyl-3-phenylacrylaldehyde (6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135446632
2-(N'-(4-Fluoro-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135454399
4-methyl-2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135519952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135454405) is 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/C=C/c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is PDBMAISMFGGOFJ-MSNJMMSUSA-N. The full InChI is InChI=1S/C14H14N4O/c1-11-10-13(19)17-14(16-11)18-15-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H2,16,17,18,19)/b8-5+,15-9+.
What are the key properties of 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135454405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).