5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C17H23N5O — CID 135401302

IUPAC5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2nc(C)cc(C)n2)c(O)c1
InChIInChI=1S/C17H23N5O/c1-5-22(6-2)15-8-7-14(16(23)10-15)11-18-21-17-19-12(3)9-13(4)20-17/h7-11,23H,5-6H2,1-4H3,(H,19,20,21)/b18-11+
InChIKeyMITQZSNDPWMDMX-WOJGMQOQSA-N
MW313.41 g/mol
LogP3.09
Rot. Bonds6

About 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135401302) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135401302
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCCN(CC)c1ccc(/C=N/Nc2nc(C)cc(C)n2)c(O)c1
InChIInChI=1S/C17H23N5O/c1-5-22(6-2)15-8-7-14(16(23)10-15)11-18-21-17-19-12(3)9-13(4)20-17/h7-11,23H,5-6H2,1-4H3,(H,19,20,21)/b18-11+
InChIKeyMITQZSNDPWMDMX-WOJGMQOQSA-N
XLogP3.09
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135401302) is 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(C)n2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MITQZSNDPWMDMX-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H23N5O/c1-5-22(6-2)15-8-7-14(16(23)10-15)11-18-21-17-19-12(3)9-13(4)20-17/h7-11,23H,5-6H2,1-4H3,(H,19,20,21)/b18-11+.
What are the key properties of 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 313.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135401302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).