2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol

C7H10BrN3O — CID 11651560

IUPAC2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncc(Br)cn1
InChIInChI=1S/C7H10BrN3O/c1-11(2-3-12)7-9-4-6(8)5-10-7/h4-5,12H,2-3H2,1H3
InChIKeyIRDFUUAWFHNFML-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.67
Rot. Bonds3

About 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol

2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol (PubChem CID 11651560) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol
PubChem CID11651560
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncc(Br)cn1
InChIInChI=1S/C7H10BrN3O/c1-11(2-3-12)7-9-4-6(8)5-10-7/h4-5,12H,2-3H2,1H3
InChIKeyIRDFUUAWFHNFML-UHFFFAOYSA-N
XLogP0.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromopyrimidine
CID 78344
4-(5-Bromopyrimidin-2-yl)morpholine
CID 5144362
Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-2-ethoxypyrimidine
CID 16427141
5-Bromo-N,N-dimethylpyrimidin-2-amine
CID 12735315
2-((5-Bromopyrimidin-2-yl)oxy)ethan-1-ol
CID 63868414
2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]ethanol
CID 2761037
1-(5-Bromopyrimidin-2-yl)piperidin-4-ol
CID 4641125
(2S)-2-[(5-chloropyrimidin-2-yl)-methylamino]propan-1-ol
CID 97329547
5-Bromo-2-(tert-butoxy)pyrimidine
CID 14242657
(5-Bromopyrimidin-2-yl)methanol
CID 20557619
(5-Methylpyrimidin-2-yl)methanol
CID 23043337

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol (CID 11651560) is 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol is CN(CCO)c1ncc(Br)cn1.
What is the InChIKey of 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol?
The InChIKey is IRDFUUAWFHNFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-11(2-3-12)7-9-4-6(8)5-10-7/h4-5,12H,2-3H2,1H3.
What are the key properties of 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol?
2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol has a molecular weight of 232.08 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 11651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).