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

C13H14N4O — CID 135421725

IUPAC4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C13H14N4O/c1-9-8-12(18)15-13(14-9)17-16-10(2)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15,17,18)/b16-10+
InChIKeyILVARVRUCBNNJR-MHWRWJLKSA-N
MW242.28 g/mol
LogP1.91
Rot. Bonds3

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

4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135421725) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135421725
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C13H14N4O/c1-9-8-12(18)15-13(14-9)17-16-10(2)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15,17,18)/b16-10+
InChIKeyILVARVRUCBNNJR-MHWRWJLKSA-N
XLogP1.91
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 ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135421725) is 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one is C/C(=N\Nc1nc(C)cc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is ILVARVRUCBNNJR-MHWRWJLKSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-8-12(18)15-13(14-9)17-16-10(2)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15,17,18)/b16-10+.
What are the key properties of 4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 1.91, 3 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-(1-phenylethylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135421725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).