4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C18H16N4O — CID 135619980

IUPAC4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C18H16N4O/c1-13-11-17(15-5-3-2-4-6-15)21-18(20-13)22-19-12-14-7-9-16(23)10-8-14/h2-12,23H,1H3,(H,20,21,22)/b19-12+
InChIKeyHUSJCFZWVPFQJG-XDHOZWIPSA-N
MW304.35 g/mol
LogP3.60
Rot. Bonds4

About 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135619980) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135619980
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESCc1cc(-c2ccccc2)nc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C18H16N4O/c1-13-11-17(15-5-3-2-4-6-15)21-18(20-13)22-19-12-14-7-9-16(23)10-8-14/h2-12,23H,1H3,(H,20,21,22)/b19-12+
InChIKeyHUSJCFZWVPFQJG-XDHOZWIPSA-N
XLogP3.60
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135619980) is 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Cc1cc(-c2ccccc2)nc(N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is HUSJCFZWVPFQJG-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-11-17(15-5-3-2-4-6-15)21-18(20-13)22-19-12-14-7-9-16(23)10-8-14/h2-12,23H,1H3,(H,20,21,22)/b19-12+.
What are the key properties of 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 304.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135619980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).