4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C12H12N4O3 — CID 155673748

IUPAC4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCOc1cc(C=NNc2cc(=O)[nH]cn2)ccc1O
InChIInChI=1S/C12H12N4O3/c1-19-10-4-8(2-3-9(10)17)6-15-16-11-5-12(18)14-7-13-11/h2-7,17H,1H3,(H2,13,14,16,18)
InChIKeyUMILVJSAEJUCAK-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.93
Rot. Bonds4

About 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 155673748) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID155673748
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCOc1cc(C=NNc2cc(=O)[nH]cn2)ccc1O
InChIInChI=1S/C12H12N4O3/c1-19-10-4-8(2-3-9(10)17)6-15-16-11-5-12(18)14-7-13-11/h2-7,17H,1H3,(H2,13,14,16,18)
InChIKeyUMILVJSAEJUCAK-UHFFFAOYSA-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_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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 155673748) is 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is COc1cc(C=NNc2cc(=O)[nH]cn2)ccc1O.
What is the InChIKey of 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is UMILVJSAEJUCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-10-4-8(2-3-9(10)17)6-15-16-11-5-12(18)14-7-13-11/h2-7,17H,1H3,(H2,13,14,16,18).
What are the key properties of 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-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 4-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 155673748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).