2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

C16H18N4O — CID 135512322

IUPAC2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESC=CCc1c(C)nc(C)nc1N/N=C/c1ccccc1O
InChIInChI=1S/C16H18N4O/c1-4-7-14-11(2)18-12(3)19-16(14)20-17-10-13-8-5-6-9-15(13)21/h4-6,8-10,21H,1,7H2,2-3H3,(H,18,19,20)/b17-10+
InChIKeyXAGCHARTNJUMPC-LICLKQGHSA-N
MW282.35 g/mol
LogP2.97
Rot. Bonds5

About 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135512322) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135512322
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESC=CCc1c(C)nc(C)nc1N/N=C/c1ccccc1O
InChIInChI=1S/C16H18N4O/c1-4-7-14-11(2)18-12(3)19-16(14)20-17-10-13-8-5-6-9-15(13)21/h4-6,8-10,21H,1,7H2,2-3H3,(H,18,19,20)/b17-10+
InChIKeyXAGCHARTNJUMPC-LICLKQGHSA-N
XLogP2.97
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135512322) is 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is C=CCc1c(C)nc(C)nc1N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is XAGCHARTNJUMPC-LICLKQGHSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-7-14-11(2)18-12(3)19-16(14)20-17-10-13-8-5-6-9-15(13)21/h4-6,8-10,21H,1,7H2,2-3H3,(H,18,19,20)/b17-10+.
What are the key properties of 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 282.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2,6-dimethyl-5-prop-2-enylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).