2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol

C7H9BrClN3O — CID 175104832

IUPAC2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1nc(Cl)nc(NCCO)c1Br
InChIInChI=1S/C7H9BrClN3O/c1-4-5(8)6(10-2-3-13)12-7(9)11-4/h13H,2-3H2,1H3,(H,10,11,12)
InChIKeyOOWTWXPGSLBOMV-UHFFFAOYSA-N
MW266.53 g/mol
LogP1.61
Rot. Bonds3

About 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol

2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 175104832) has the molecular formula C7H9BrClN3O and a molecular weight of 266.53 g/mol. Its IUPAC name is 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
PubChem CID175104832
Molecular FormulaC7H9BrClN3O
Molecular Weight266.53 g/mol
Exact Mass264.96
IUPAC Name2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1nc(Cl)nc(NCCO)c1Br
InChIInChI=1S/C7H9BrClN3O/c1-4-5(8)6(10-2-3-13)12-7(9)11-4/h13H,2-3H2,1H3,(H,10,11,12)
InChIKeyOOWTWXPGSLBOMV-UHFFFAOYSA-N
XLogP1.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.53
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 82066585
2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol
CID 172603441
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
2-[[5-(2-hydroxyethylamino)-2,3-dimethylpyrazino[2,3-d]pyridazin-8-yl]amino]ethanol
CID 134914576
2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
CID 167350764
ethyl 2-chloro-5-ethoxy-6-(2-hydroxyethylamino)pyrimidine-4-carboxylate
CID 88918882
5-bromo-6-methyl-N,2-dipropylpyrimidin-4-amine
CID 66307676
5-bromo-2-(3-chlorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66304892
5-bromo-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 130658711
2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 169119169
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol (CID 175104832) is 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol is Cc1nc(Cl)nc(NCCO)c1Br.
What is the InChIKey of 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is OOWTWXPGSLBOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClN3O/c1-4-5(8)6(10-2-3-13)12-7(9)11-4/h13H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol?
2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 266.53 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 175104832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).