2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol

C11H10BrN3O — CID 115051492

IUPAC2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(Br)nc(Nc2ccccc2O)n1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(12)15-11(13-7)14-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,14,15)
InChIKeyDIVXHWGMRKGPMX-UHFFFAOYSA-N
MW280.13 g/mol
LogP3.00
Rot. Bonds2

About 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol

2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol (PubChem CID 115051492) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol.

Molecular Properties

Compound Name2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol
PubChem CID115051492
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol
SMILESCc1cc(Br)nc(Nc2ccccc2O)n1
InChIInChI=1S/C11H10BrN3O/c1-7-6-10(12)15-11(13-7)14-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,14,15)
InChIKeyDIVXHWGMRKGPMX-UHFFFAOYSA-N
XLogP3.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 53.00
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-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 116796989
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]-3-hydroxybenzoate
CID 108778109
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325154
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol?
The IUPAC name of 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol (CID 115051492) is 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol.
What is the SMILES notation for 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol?
The canonical SMILES for 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol is Cc1cc(Br)nc(Nc2ccccc2O)n1.
What is the InChIKey of 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol?
The InChIKey is DIVXHWGMRKGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-6-10(12)15-11(13-7)14-8-4-2-3-5-9(8)16/h2-6,16H,1H3,(H,13,14,15).
What are the key properties of 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol?
2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol has a molecular weight of 280.13 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-6-methylpyrimidin-2-yl)amino]phenol is sourced from PubChem (CID 115051492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).