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

C17H15N3O — CID 16876818

IUPAC4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O/c1-12-18-16(13-5-3-2-4-6-13)11-17(19-12)20-14-7-9-15(21)10-8-14/h2-11,21H,1H3,(H,18,19,20)
InChIKeyQBWFFHFKTYADJQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.90
Rot. Bonds3

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

4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol (PubChem CID 16876818) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
PubChem CID16876818
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O/c1-12-18-16(13-5-3-2-4-6-13)11-17(19-12)20-14-7-9-15(21)10-8-14/h2-11,21H,1H3,(H,18,19,20)
InChIKeyQBWFFHFKTYADJQ-UHFFFAOYSA-N
XLogP3.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 108775245
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
3-N-(3-chloroquinoxalin-2-yl)-1-N-(2-methyl-6-phenylpyrimidin-4-yl)benzene-1,3-diamine
CID 108775255
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-[[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 20997773
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol (CID 16876818) is 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol is Cc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol?
The InChIKey is QBWFFHFKTYADJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-18-16(13-5-3-2-4-6-13)11-17(19-12)20-14-7-9-15(21)10-8-14/h2-11,21H,1H3,(H,18,19,20).
What are the key properties of 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol?
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 16876818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).