2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C14H16N4O4 — CID 135470802

IUPAC2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc(OC)c1O
InChIInChI=1S/C14H16N4O4/c1-8-4-12(19)17-14(16-8)18-15-7-9-5-10(21-2)13(20)11(6-9)22-3/h4-7,20H,1-3H3,(H2,16,17,18,19)/b15-7+
InChIKeyGJFQKDBQPDCNHZ-VIZOYTHASA-N
MW304.31 g/mol
LogP1.25
Rot. Bonds5

About 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135470802) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135470802
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc(OC)c1O
InChIInChI=1S/C14H16N4O4/c1-8-4-12(19)17-14(16-8)18-15-7-9-5-10(21-2)13(20)11(6-9)22-3/h4-7,20H,1-3H3,(H2,16,17,18,19)/b15-7+
InChIKeyGJFQKDBQPDCNHZ-VIZOYTHASA-N
XLogP1.25
TPSA108.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135470802) is 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc(OC)c1O.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GJFQKDBQPDCNHZ-VIZOYTHASA-N. The full InChI is InChI=1S/C14H16N4O4/c1-8-4-12(19)17-14(16-8)18-15-7-9-5-10(21-2)13(20)11(6-9)22-3/h4-7,20H,1-3H3,(H2,16,17,18,19)/b15-7+.
What are the key properties of 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 304.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135470802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).