2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one

C14H14N4O — CID 135500664

IUPAC2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=CC=Cc2ccccc2)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)
InChIKeyPDBMAISMFGGOFJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.19
Rot. Bonds4

About 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one

2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135500664) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135500664
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=CC=Cc2ccccc2)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)
InChIKeyPDBMAISMFGGOFJ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (CID 135500664) is 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=CC=Cc2ccccc2)n1.
What is the InChIKey of 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PDBMAISMFGGOFJ-UHFFFAOYSA-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).
What are the key properties of 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-cinnamylidenehydrazinyl)-4-methyl-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 2-(2-cinnamylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135500664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).