2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one

C12H12N4O — CID 135460312

IUPAC2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccccc2)n1
InChIInChI=1S/C12H12N4O/c1-9-7-11(17)15-12(14-9)16-13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,15,16,17)/b13-8+
InChIKeyVGHMMSWSJBDFKP-MDWZMJQESA-N
MW228.26 g/mol
LogP1.52
Rot. Bonds3

About 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135460312) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135460312
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccccc2)n1
InChIInChI=1S/C12H12N4O/c1-9-7-11(17)15-12(14-9)16-13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,15,16,17)/b13-8+
InChIKeyVGHMMSWSJBDFKP-MDWZMJQESA-N
XLogP1.52
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.52
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

2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 135509500
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
2-[(2Z)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722664
4-methyl-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135543410
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842
4-methyl-2-[(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135520022
4-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135483293
2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135747235

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135460312) is 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccccc2)n1.
What is the InChIKey of 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VGHMMSWSJBDFKP-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-7-11(17)15-12(14-9)16-13-8-10-5-3-2-4-6-10/h2-8H,1H3,(H2,14,15,16,17)/b13-8+.
What are the key properties of 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 228.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135460312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).