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

C14H16N4O3 — CID 135454477

IUPAC2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c1OC
InChIInChI=1S/C14H16N4O3/c1-9-7-12(19)17-14(16-9)18-15-8-10-5-4-6-11(20-2)13(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)/b15-8+
InChIKeyLNLSKBCODVOBTA-OVCLIPMQSA-N
MW288.31 g/mol
LogP1.54
Rot. Bonds5

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

2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135454477) 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]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135454477
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1cccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c1OC
InChIInChI=1S/C14H16N4O3/c1-9-7-12(19)17-14(16-9)18-15-8-10-5-4-6-11(20-2)13(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)/b15-8+
InChIKeyLNLSKBCODVOBTA-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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Related Compounds

2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrimidin-6-one
CID 5335657
4-Hydroxy-3,5-dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470802
2-amino-3-{[(E)-(2,5-dimethoxyphenyl)methylidene]amino}-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 9657312
3-Ethoxy-4-hydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470891
2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135857459
4-Hydroxy-3-methoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135454401
2,5-Dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)hydrazone
CID 135454486
2-[N'-(3,4-Dimethoxy-benzylidene)-hydrazino]-6-methyl-pyrimidin-4-ol
CID 135464619
2-Ethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135509502
2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135519884
2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454028
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one
CID 135443075

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135454477) is 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is COc1cccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c1OC.
What is the InChIKey of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LNLSKBCODVOBTA-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-12(19)17-14(16-9)18-15-8-10-5-4-6-11(20-2)13(10)21-3/h4-8H,1-3H3,(H2,16,17,18,19)/b15-8+.
What are the key properties of 2-[(2E)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2,3-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-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135454477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).