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

C15H16N4O — CID 6863503

IUPAC5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCC(/C=N/Nc1ncc(C)c(=O)[nH]1)=C\c1ccccc1
InChIInChI=1S/C15H16N4O/c1-11(8-13-6-4-3-5-7-13)9-17-19-15-16-10-12(2)14(20)18-15/h3-10H,1-2H3,(H2,16,18,19,20)/b11-8+,17-9+
InChIKeyNTKFSKJLPBZDBC-LQLUBKQVSA-N
MW268.32 g/mol
LogP2.58
Rot. Bonds4

About 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one

5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 6863503) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID6863503
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCC(/C=N/Nc1ncc(C)c(=O)[nH]1)=C\c1ccccc1
InChIInChI=1S/C15H16N4O/c1-11(8-13-6-4-3-5-7-13)9-17-19-15-16-10-12(2)14(20)18-15/h3-10H,1-2H3,(H2,16,18,19,20)/b11-8+,17-9+
InChIKeyNTKFSKJLPBZDBC-LQLUBKQVSA-N
XLogP2.58
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.58
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 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 6863503) is 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one is CC(/C=N/Nc1ncc(C)c(=O)[nH]1)=C\c1ccccc1.
What is the InChIKey of 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is NTKFSKJLPBZDBC-LQLUBKQVSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(8-13-6-4-3-5-7-13)9-17-19-15-16-10-12(2)14(20)18-15/h3-10H,1-2H3,(H2,16,18,19,20)/b11-8+,17-9+.
What are the key properties of 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one?
5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 268.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 6863503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).