2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C11H10N4O2 — CID 135470766

IUPAC2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N/N=C/c2ccc(O)cc2)[nH]1
InChIInChI=1S/C11H10N4O2/c16-9-3-1-8(2-4-9)7-13-15-11-12-6-5-10(17)14-11/h1-7,16H,(H2,12,14,15,17)/b13-7+
InChIKeyFOFBPSKOCCKERZ-NTUHNPAUSA-N
MW230.23 g/mol
LogP0.92
Rot. Bonds3

About 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135470766) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135470766
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(N/N=C/c2ccc(O)cc2)[nH]1
InChIInChI=1S/C11H10N4O2/c16-9-3-1-8(2-4-9)7-13-15-11-12-6-5-10(17)14-11/h1-7,16H,(H2,12,14,15,17)/b13-7+
InChIKeyFOFBPSKOCCKERZ-NTUHNPAUSA-N
XLogP0.92
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-2-(2-hydroxybenzylidenehydrazino)-6-methylpyrimidine
CID 135460298
(E)-4-(2-(2-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 135630654
4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 135439466
2-Hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135471898
(E)-4-(2-(3-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 6870031
3,4-Dihydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135592220
2-amino-3-{[(E)-(3-hydroxyphenyl)methylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 9666062
2-(N'-(4-Methoxy-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135509497
6-[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 156021015
2-(2-(4-Hydroxybenzylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135470823
3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135409374
(E)-N-[(E)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
CID 135976598

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135470766) is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is O=c1ccnc(N/N=C/c2ccc(O)cc2)[nH]1.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is FOFBPSKOCCKERZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-3-1-8(2-4-9)7-13-15-11-12-6-5-10(17)14-11/h1-7,16H,(H2,12,14,15,17)/b13-7+.
What are the key properties of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 230.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135470766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).