4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

C13H15N5O2 — CID 135648201

IUPAC4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2cc(C)nc(N)n2)ccc1O
InChIInChI=1S/C13H15N5O2/c1-8-5-12(17-13(14)16-8)18-15-7-9-3-4-10(19)11(6-9)20-2/h3-7,19H,1-2H3,(H3,14,16,17,18)/b15-7+
InChIKeyOUMHQLOJHXSNSR-VIZOYTHASA-N
MW273.30 g/mol
LogP1.53
Rot. Bonds4

About 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135648201) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135648201
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2cc(C)nc(N)n2)ccc1O
InChIInChI=1S/C13H15N5O2/c1-8-5-12(17-13(14)16-8)18-15-7-9-3-4-10(19)11(6-9)20-2/h3-7,19H,1-2H3,(H3,14,16,17,18)/b15-7+
InChIKeyOUMHQLOJHXSNSR-VIZOYTHASA-N
XLogP1.53
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.53
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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Related Compounds

4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-methoxyphenol
CID 3078765
2,4-NH2Pyrimidine,5(3-OH-4meo)benzyl
CID 15571587
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
4-[(E)-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene}methyl]-2-ethoxyphenol
CID 135641513
2-methoxy-4-{(E)-[2-(pyridin-2-yl)hydrazinylidene]methyl}phenol
CID 135650540
4-[(4,6-Dimethyl-pyrimidin-2-yl)-hydrazonomethyl]-2-methoxy-phenol
CID 135458671
N-{4-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}benzenesulfonamide
CID 135549525
4-Methoxybenzaldehyde (2-amino-6-methyl-4-pyrimidinyl)hydrazone
CID 5350050
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
CID 6877700
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidine
CID 9607467

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (CID 135648201) is 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N/Nc2cc(C)nc(N)n2)ccc1O.
What is the InChIKey of 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is OUMHQLOJHXSNSR-VIZOYTHASA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-5-12(17-13(14)16-8)18-15-7-9-3-4-10(19)11(6-9)20-2/h3-7,19H,1-2H3,(H3,14,16,17,18)/b15-7+.
What are the key properties of 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 273.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135648201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).