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

C14H16N4O3 — CID 5335657

IUPAC2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(/C=N/Nc2ncc(C)c(=O)[nH]2)c1OC
InChIInChI=1S/C14H16N4O3/c1-9-7-15-14(17-13(9)19)18-16-8-10-5-4-6-11(20-2)12(10)21-3/h4-8H,1-3H3,(H2,15,17,18,19)/b16-8+
InChIKeyALGHQKIIYGSSDY-LZYBPNLTSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds5

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

2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 5335657) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID5335657
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(/C=N/Nc2ncc(C)c(=O)[nH]2)c1OC
InChIInChI=1S/C14H16N4O3/c1-9-7-15-14(17-13(9)19)18-16-8-10-5-4-6-11(20-2)12(10)21-3/h4-8H,1-3H3,(H2,15,17,18,19)/b16-8+
InChIKeyALGHQKIIYGSSDY-LZYBPNLTSA-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'}

Analyze 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135454395
2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 135615207
5-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110337120
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
6-(4-methoxyphenyl)-3-[(2E)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136789185
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070
2-[(2E)-2-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733641
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 6218691
5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538082
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5H-pyrimido[5,4-b]indol-4-amine
CID 6220123

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one (CID 5335657) is 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one is COc1cccc(/C=N/Nc2ncc(C)c(=O)[nH]2)c1OC.
What is the InChIKey of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ALGHQKIIYGSSDY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-15-14(17-13(9)19)18-16-8-10-5-4-6-11(20-2)12(10)21-3/h4-8H,1-3H3,(H2,15,17,18,19)/b16-8+.
What are the key properties of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-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-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 5335657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).