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

C14H16N4O3 — CID 135454486

IUPAC2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(OC)c(/C=N/Nc2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C14H16N4O3/c1-9-6-13(19)17-14(16-9)18-15-8-10-7-11(20-2)4-5-12(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)/b15-8+
InChIKeyJETQFFXNPGFSNB-OVCLIPMQSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds5

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

2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135454486) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135454486
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(OC)c(/C=N/Nc2nc(C)cc(=O)[nH]2)c1
InChIInChI=1S/C14H16N4O3/c1-9-6-13(19)17-14(16-9)18-15-8-10-7-11(20-2)4-5-12(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)/b15-8+
InChIKeyJETQFFXNPGFSNB-OVCLIPMQSA-N
XLogP1.54
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135454486) is 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is COc1ccc(OC)c(/C=N/Nc2nc(C)cc(=O)[nH]2)c1.
What is the InChIKey of 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JETQFFXNPGFSNB-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-6-13(19)17-14(16-9)18-15-8-10-7-11(20-2)4-5-12(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)/b15-8+.
What are the key properties of 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 288.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135454486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).