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

C12H12N4O2 — CID 135470823

IUPAC2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+
InChIKeyPRYXVASMZNISMM-NTUHNPAUSA-N
MW244.25 g/mol
LogP1.23
Rot. Bonds3

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

2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135470823) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135470823
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+
InChIKeyPRYXVASMZNISMM-NTUHNPAUSA-N
XLogP1.23
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.23
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
2-{(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl}-6-methylpyrimidin-4(3H)-one
CID 135509505
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
2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135516474
4-Hydroxy-3-methoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135454401
3,4-Dihydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135592220
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454028
2-amino-3-{[(E)-(3-hydroxyphenyl)methylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 9666062
2-[N'-(2-Methoxy-benzylidene)-hydrazino]-6-methyl-pyrimidin-4-ol
CID 135443075
(4-Hydroxy-2,6-dimethyl-pyrimidin-5-yl)-acetic acid (4-hydroxy-benzylidene)-hydrazide
CID 135470924
6-[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 156021015

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135470823) is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is PRYXVASMZNISMM-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+.
What are the key properties of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 244.25 g/mol, XLogP of 1.23, 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]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135470823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).