2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C15H18N4O2 — CID 135519884

IUPAC2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c1-10-9-14(20)17-15(16-10)19-18-11(2)8-12-4-6-13(21-3)7-5-12/h4-7,9H,8H2,1-3H3,(H2,16,17,19,20)/b18-11+
InChIKeyBTFSTYQHKDKRCA-WOJGMQOQSA-N
MW286.34 g/mol
LogP2.12
Rot. Bonds5

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

2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135519884) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135519884
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(C/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H18N4O2/c1-10-9-14(20)17-15(16-10)19-18-11(2)8-12-4-6-13(21-3)7-5-12/h4-7,9H,8H2,1-3H3,(H2,16,17,19,20)/b18-11+
InChIKeyBTFSTYQHKDKRCA-WOJGMQOQSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.12
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

1-(4-Methoxyphenyl)ethanone (4-hydroxy-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437622
2,3-Dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135454477
3-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135488697
2,5-Dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135454486
2-[N'-(3,4-Dimethoxy-benzylidene)-hydrazino]-6-methyl-pyrimidin-4-ol
CID 135464619
2-Ethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135509502
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454028
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one
CID 135443075
2-(4-hydroxy-2,6-dimethylpyrimidin-5-yl)-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
CID 135517025
5-(4-Methoxyphenyl)-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 3162790
2-benzyl-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 74221890
2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135462739

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135519884) is 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is COc1ccc(C/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BTFSTYQHKDKRCA-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-9-14(20)17-15(16-10)19-18-11(2)8-12-4-6-13(21-3)7-5-12/h4-7,9H,8H2,1-3H3,(H2,16,17,19,20)/b18-11+.
What are the key properties of 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 286.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135519884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).