2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

C19H18N4O2 — CID 135696854

IUPAC2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(14-8-10-16(25-2)11-9-14)22-23-19-20-17(12-18(24)21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,20,21,23,24)
InChIKeyVPCMZQHQQJKAHI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.28
Rot. Bonds5

About 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one

2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135696854) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135696854
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C19H18N4O2/c1-13(14-8-10-16(25-2)11-9-14)22-23-19-20-17(12-18(24)21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,20,21,23,24)
InChIKeyVPCMZQHQQJKAHI-UHFFFAOYSA-N
XLogP3.28
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 135696854) is 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is COc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is VPCMZQHQQJKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13(14-8-10-16(25-2)11-9-14)22-23-19-20-17(12-18(24)21-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 334.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135696854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).