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

C19H18N4O — CID 2842182

IUPAC4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
SMILESCC(=NNc1nc(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)
InChIKeyDRVUOGLUTXJUTI-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds4

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

4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol (PubChem CID 2842182) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
PubChem CID2842182
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
SMILESCC(=NNc1nc(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)
InChIKeyDRVUOGLUTXJUTI-UHFFFAOYSA-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-[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

Related Compounds

4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135775097
N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338885
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
2-N-benzyl-4-N-[1-(4-iodophenyl)ethylideneamino]-6-methylpyrimidine-2,4-diamine
CID 3827063
2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol
CID 136747859
5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
CID 4714117
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867

Frequently Asked Questions

What is the IUPAC name of 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
The IUPAC name of 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol (CID 2842182) is 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
The canonical SMILES for 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol is CC(=NNc1nc(C)cc(-c2ccccc2)n1)c1ccc(O)cc1.
What is the InChIKey of 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
The InChIKey is DRVUOGLUTXJUTI-UHFFFAOYSA-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).
What are the key properties of 4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol?
4-[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-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol is sourced from PubChem (CID 2842182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).