4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol

C19H18N4O — CID 135458773

IUPAC4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C19H18N4O/c1-13-12-18(16-6-4-3-5-7-16)21-19(20-13)23-22-14(2)15-8-10-17(24)11-9-15/h3-12,24H,1-2H3,(H,20,21,23)/b22-14+
InChIKeyDRVUOGLUTXJUTI-HYARGMPZSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds4

About 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol

4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol (PubChem CID 135458773) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
PubChem CID135458773
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(O)cc1
InChIInChI=1S/C19H18N4O/c1-13-12-18(16-6-4-3-5-7-16)21-19(20-13)23-22-14(2)15-8-10-17(24)11-9-15/h3-12,24H,1-2H3,(H,20,21,23)/b22-14+
InChIKeyDRVUOGLUTXJUTI-HYARGMPZSA-N
XLogP3.99
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.99
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'}

Analyze 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol (CID 135458773) is 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol is C/C(=N\Nc1nc(C)cc(-c2ccccc2)n1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
The InChIKey is DRVUOGLUTXJUTI-HYARGMPZSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-12-18(16-6-4-3-5-7-16)21-19(20-13)23-22-14(2)15-8-10-17(24)11-9-15/h3-12,24H,1-2H3,(H,20,21,23)/b22-14+.
What are the key properties of 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol has a molecular weight of 318.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol is sourced from PubChem (CID 135458773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).