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

C12H12N4O2 — CID 135509495

IUPAC2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2cccc(O)c2)n1
InChIInChI=1S/C12H12N4O2/c1-8-5-11(18)15-12(14-8)16-13-7-9-3-2-4-10(17)6-9/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+
InChIKeyWLKZKWFXUIWNCZ-NTUHNPAUSA-N
MW244.25 g/mol
LogP1.23
Rot. Bonds3

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

2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135509495) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135509495
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C/c2cccc(O)c2)n1
InChIInChI=1S/C12H12N4O2/c1-8-5-11(18)15-12(14-8)16-13-7-9-3-2-4-10(17)6-9/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+
InChIKeyWLKZKWFXUIWNCZ-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135509495) is 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C/c2cccc(O)c2)n1.
What is the InChIKey of 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WLKZKWFXUIWNCZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-5-11(18)15-12(14-8)16-13-7-9-3-2-4-10(17)6-9/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+.
What are the key properties of 2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(3-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-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135509495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).