2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C12H12N4O3 — CID 135592220

IUPAC2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(O)c(O)c2)n1
InChIInChI=1S/C12H12N4O3/c1-7-4-11(19)15-12(14-7)16-13-6-8-2-3-9(17)10(18)5-8/h2-6,17-18H,1H3,(H2,14,15,16,19)/b13-6+
InChIKeyZZQWAHSIUADDDR-AWNIVKPZSA-N
MW260.25 g/mol
LogP0.94
Rot. Bonds3

About 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135592220) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135592220
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(O)c(O)c2)n1
InChIInChI=1S/C12H12N4O3/c1-7-4-11(19)15-12(14-7)16-13-6-8-2-3-9(17)10(18)5-8/h2-6,17-18H,1H3,(H2,14,15,16,19)/b13-6+
InChIKeyZZQWAHSIUADDDR-AWNIVKPZSA-N
XLogP0.94
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-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

Related Compounds

4-Hydroxy-2-(2-hydroxybenzylidenehydrazino)-6-methylpyrimidine
CID 135460298
4-Hydroxy-3,5-dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470802
3-Ethoxy-4-hydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470891
2-Hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135471898
4-Hydroxy-3-methoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135454401
2-[N'-(3,4-Dimethoxy-benzylidene)-hydrazino]-6-methyl-pyrimidin-4-ol
CID 135464619
2-amino-3-{[(E)-(3-hydroxyphenyl)methylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 9666062
2-(2-(4-Hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135470823
2-[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136865698
2-Amino-3-[(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
CID 3366533
2-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135458777
4-methyl-2-[(2E)-2-[(2,3,4-trihydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135676163

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135592220) is 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc(O)c(O)c2)n1.
What is the InChIKey of 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ZZQWAHSIUADDDR-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-4-11(19)15-12(14-7)16-13-6-8-2-3-9(17)10(18)5-8/h2-6,17-18H,1H3,(H2,14,15,16,19)/b13-6+.
What are the key properties of 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 260.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135592220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).