5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol

C12H12N4O — CID 155515109

IUPAC5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
SMILESCc1ccc(/C=N/Nc2ncccn2)c(O)c1
InChIInChI=1S/C12H12N4O/c1-9-3-4-10(11(17)7-9)8-15-16-12-13-5-2-6-14-12/h2-8,17H,1H3,(H,13,14,16)/b15-8+
InChIKeySSLJSNWYHJKHQF-OVCLIPMQSA-N
MW228.26 g/mol
LogP1.94
Rot. Bonds3

About 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol

5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 155515109) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
PubChem CID155515109
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
SMILESCc1ccc(/C=N/Nc2ncccn2)c(O)c1
InChIInChI=1S/C12H12N4O/c1-9-3-4-10(11(17)7-9)8-15-16-12-13-5-2-6-14-12/h2-8,17H,1H3,(H,13,14,16)/b15-8+
InChIKeySSLJSNWYHJKHQF-OVCLIPMQSA-N
XLogP1.94
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.94
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol (CID 155515109) is 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol is Cc1ccc(/C=N/Nc2ncccn2)c(O)c1.
What is the InChIKey of 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is SSLJSNWYHJKHQF-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-3-4-10(11(17)7-9)8-15-16-12-13-5-2-6-14-12/h2-8,17H,1H3,(H,13,14,16)/b15-8+.
What are the key properties of 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol?
5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 228.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 155515109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).