2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C15H18N4O3 — CID 135614827

IUPAC2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1
InChIInChI=1S/C15H18N4O3/c1-3-6-22-12-5-4-11(13(20)8-12)9-16-19-15-17-10(2)7-14(21)18-15/h4-5,7-9,20H,3,6H2,1-2H3,(H2,17,18,19,21)/b16-9+
InChIKeyYOHMZCXEBKKAEQ-CXUHLZMHSA-N
MW302.33 g/mol
LogP2.02
Rot. Bonds6

About 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135614827) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135614827
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1
InChIInChI=1S/C15H18N4O3/c1-3-6-22-12-5-4-11(13(20)8-12)9-16-19-15-17-10(2)7-14(21)18-15/h4-5,7-9,20H,3,6H2,1-2H3,(H2,17,18,19,21)/b16-9+
InChIKeyYOHMZCXEBKKAEQ-CXUHLZMHSA-N
XLogP2.02
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-3,5-dimethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470802
3-Ethoxy-4-hydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470891
2-Ethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135509502
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
2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135462739
2-(N'-(4-Methoxy-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135509497
2-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135458777
(E)-3-(2-(2,4-dimethoxybenzylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135454478
2-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-4-ol
CID 135454479
2-[2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135508311
2-[(2E)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135676011

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135614827) is 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1.
What is the InChIKey of 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YOHMZCXEBKKAEQ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-6-22-12-5-4-11(13(20)8-12)9-16-19-15-17-10(2)7-14(21)18-15/h4-5,7-9,20H,3,6H2,1-2H3,(H2,17,18,19,21)/b16-9+.
What are the key properties of 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135614827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).