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

C19H18N4O2 — CID 135437622

IUPAC2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(/C(C)=N\Nc2nc(-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)/b22-13-
InChIKeyVPCMZQHQQJKAHI-XKZIYDEJSA-N
MW334.38 g/mol
LogP3.28
Rot. Bonds5

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

2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135437622) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135437622
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
SMILESCOc1ccc(/C(C)=N\Nc2nc(-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)/b22-13-
InChIKeyVPCMZQHQQJKAHI-XKZIYDEJSA-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'}

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Related Compounds

2-Amino-6-(4-methoxyphenyl)pyrimidin-4-ol
CID 135648979
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458
2-[2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135502495
2-[(2Z)-2-{[(E)-(4-methoxyphenyl)diazenyl](phenyl)methylidene}hydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135512352
2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135857459
2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135519884
3-(4-methoxyphenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 867736
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454028
2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 707923
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one
CID 135443075

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one (CID 135437622) is 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is COc1ccc(/C(C)=N\Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is VPCMZQHQQJKAHI-XKZIYDEJSA-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)/b22-13-.
What are the key properties of 2-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one?
2-[(2Z)-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-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135437622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).