6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

C12H12N4O3 — CID 135614898

IUPAC6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESCOc1cccc(/C=N/Nc2ccnc(=O)[nH]2)c1O
InChIInChI=1S/C12H12N4O3/c1-19-9-4-2-3-8(11(9)17)7-14-16-10-5-6-13-12(18)15-10/h2-7,17H,1H3,(H2,13,15,16,18)/b14-7+
InChIKeySQPGIFXCUHDDBQ-VGOFMYFVSA-N
MW260.25 g/mol
LogP0.93
Rot. Bonds4

About 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one

6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (PubChem CID 135614898) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
PubChem CID135614898
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
SMILESCOc1cccc(/C=N/Nc2ccnc(=O)[nH]2)c1O
InChIInChI=1S/C12H12N4O3/c1-19-9-4-2-3-8(11(9)17)7-14-16-10-5-6-13-12(18)15-10/h2-7,17H,1H3,(H2,13,15,16,18)/b14-7+
InChIKeySQPGIFXCUHDDBQ-VGOFMYFVSA-N
XLogP0.93
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one (CID 135614898) is 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is COc1cccc(/C=N/Nc2ccnc(=O)[nH]2)c1O.
What is the InChIKey of 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
The InChIKey is SQPGIFXCUHDDBQ-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-9-4-2-3-8(11(9)17)7-14-16-10-5-6-13-12(18)15-10/h2-7,17H,1H3,(H2,13,15,16,18)/b14-7+.
What are the key properties of 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one?
6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one has a molecular weight of 260.25 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 135614898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).