2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol

C18H17N3O — CID 91294272

IUPAC2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol
SMILESCc1ccc(C)c(-c2ccnc(Nc3ccccc3O)n2)c1
InChIInChI=1S/C18H17N3O/c1-12-7-8-13(2)14(11-12)15-9-10-19-18(20-15)21-16-5-3-4-6-17(16)22/h3-11,22H,1-2H3,(H,19,20,21)
InChIKeyGUHOZAJEXHDUSZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.21
Rot. Bonds3

About 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol

2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol (PubChem CID 91294272) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol
PubChem CID91294272
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol
SMILESCc1ccc(C)c(-c2ccnc(Nc3ccccc3O)n2)c1
InChIInChI=1S/C18H17N3O/c1-12-7-8-13(2)14(11-12)15-9-10-19-18(20-15)21-16-5-3-4-6-17(16)22/h3-11,22H,1-2H3,(H,19,20,21)
InChIKeyGUHOZAJEXHDUSZ-UHFFFAOYSA-N
XLogP4.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
N-(2,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347047
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
methyl 2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetate
CID 116901184
2-[[4-(1,5-dihydropyrrolo[2,3-b]azepin-3-yl)pyrimidin-2-yl]amino]phenol
CID 143225793
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112902522
2-(2,5-dimethylphenyl)quinoline
CID 1202732
(E)-3-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]prop-2-enoic acid
CID 116901703
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol (CID 91294272) is 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol is Cc1ccc(C)c(-c2ccnc(Nc3ccccc3O)n2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol?
The InChIKey is GUHOZAJEXHDUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-7-8-13(2)14(11-12)15-9-10-19-18(20-15)21-16-5-3-4-6-17(16)22/h3-11,22H,1-2H3,(H,19,20,21).
What are the key properties of 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol?
2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol has a molecular weight of 291.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 91294272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).