2-(5-bromopyrimidin-2-yl)oxyethanol

C6H7BrN2O2 — CID 63868414

IUPAC2-(5-bromopyrimidin-2-yl)oxyethanol
SMILESOCCOc1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-6(9-4-5)11-2-1-10/h3-4,10H,1-2H2
InChIKeyIZOVVFPEDIYGKF-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.61
Rot. Bonds3

About 2-(5-bromopyrimidin-2-yl)oxyethanol

2-(5-bromopyrimidin-2-yl)oxyethanol (PubChem CID 63868414) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)oxyethanol
PubChem CID63868414
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name2-(5-bromopyrimidin-2-yl)oxyethanol
SMILESOCCOc1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-6(9-4-5)11-2-1-10/h3-4,10H,1-2H2
InChIKeyIZOVVFPEDIYGKF-UHFFFAOYSA-N
XLogP0.61
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-2-ethoxypyrimidine
CID 16427141
5-Bromo-2-(tert-butoxy)pyrimidine
CID 14242657
2-Ethoxypyrimidine-5-boronic acid
CID 16427142
(5-Bromopyrimidin-2-yl)methanol
CID 20557619
3-(5-Bromopyrimidin-2-yl)propan-1-ol
CID 154643257
3-[(5-Bromopyrimidin-2-yl)oxy]propan-1-amine hydrochloride
CID 166000452
2-[(5-Bromopyrimidin-2-yl)-methylamino]ethanol
CID 11651560
(s)-(4-(5-Bromopyrimidin-2-yl)morpholin-2-yl)methanol
CID 129887934
1-((5-Bromopyrimidin-2-yl)amino)-3-methoxypropan-2-ol
CID 56791638
1-((5-Bromopyrimidin-2-yl)(methyl)amino)propan-2-ol
CID 63873219
(2S)-4-[(5-bromopyrimidin-2-yl)-methylamino]butan-2-ol
CID 97575936

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)oxyethanol?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)oxyethanol (CID 63868414) is 2-(5-bromopyrimidin-2-yl)oxyethanol.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)oxyethanol?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)oxyethanol is OCCOc1ncc(Br)cn1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)oxyethanol?
The InChIKey is IZOVVFPEDIYGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-5-3-8-6(9-4-5)11-2-1-10/h3-4,10H,1-2H2.
What are the key properties of 2-(5-bromopyrimidin-2-yl)oxyethanol?
2-(5-bromopyrimidin-2-yl)oxyethanol has a molecular weight of 219.04 g/mol, XLogP of 0.61, 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)oxyethanol is sourced from PubChem (CID 63868414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).