3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol

C17H15N3O — CID 58542289

IUPAC3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
SMILESCc1ccc(-c2cnc(Nc3cccc(O)c3)nc2)cc1
InChIInChI=1S/C17H15N3O/c1-12-5-7-13(8-6-12)14-10-18-17(19-11-14)20-15-3-2-4-16(21)9-15/h2-11,21H,1H3,(H,18,19,20)
InChIKeyNILUSEDUUVQWNG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.90
Rot. Bonds3

About 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol

3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol (PubChem CID 58542289) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
PubChem CID58542289
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
SMILESCc1ccc(-c2cnc(Nc3cccc(O)c3)nc2)cc1
InChIInChI=1S/C17H15N3O/c1-12-5-7-13(8-6-12)14-10-18-17(19-11-14)20-15-3-2-4-16(21)9-15/h2-11,21H,1H3,(H,18,19,20)
InChIKeyNILUSEDUUVQWNG-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

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Related Compounds

2-(3-hydroxyanilino)pyrimidine-5-carbaldehyde
CID 115028979
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 50826661
N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826582
3-(2,6-dimethylanilino)phenol
CID 53407688
3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
CID 123576120
3-[(5-methyl-2-pyridinyl)methylamino]phenol
CID 81311516
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
3-[(4-amino-1,3,5-triazin-2-yl)amino]phenol
CID 4125292
5-(3-hydroxyanilino)-6-methyl-1H-pyrimidin-2-one
CID 115029941

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol (CID 58542289) is 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol is Cc1ccc(-c2cnc(Nc3cccc(O)c3)nc2)cc1.
What is the InChIKey of 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol?
The InChIKey is NILUSEDUUVQWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-5-7-13(8-6-12)14-10-18-17(19-11-14)20-15-3-2-4-16(21)9-15/h2-11,21H,1H3,(H,18,19,20).
What are the key properties of 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol?
3-[[5-(4-methylphenyl)pyrimidin-2-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 3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 58542289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).