1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol

C8H9BrN2O2 — CID 118138246

IUPAC1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol
SMILESOC1CC(O)(c2ncc(Br)cn2)C1
InChIInChI=1S/C8H9BrN2O2/c9-5-3-10-7(11-4-5)8(13)1-6(12)2-8/h3-4,6,12-13H,1-2H2
InChIKeyWRQSLKVCDINEJU-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.58
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol

1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol (PubChem CID 118138246) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol
PubChem CID118138246
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol
SMILESOC1CC(O)(c2ncc(Br)cn2)C1
InChIInChI=1S/C8H9BrN2O2/c9-5-3-10-7(11-4-5)8(13)1-6(12)2-8/h3-4,6,12-13H,1-2H2
InChIKeyWRQSLKVCDINEJU-UHFFFAOYSA-N
XLogP0.58
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane
CID 178039114
4-(5-bromopyrimidin-2-yl)oxan-4-ol;oxan-4-one
CID 159685962
1-(5-bromopyrimidin-2-yl)cyclohexan-1-ol;ethyl formate
CID 174824588
1-amino-2-(5-bromopyrimidin-2-yl)-2-methylcyclohexan-1-ol
CID 142668143
(5-bromopyrimidin-2-yl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 70896633
3-(5-bromopyrimidin-2-yl)oxetan-3-amine;hydrochloride
CID 155970384
4-(5-bromopyrimidin-2-yl)cyclohex-3-en-1-ol
CID 141463405
[1-(5-bromopyrimidin-2-yl)cyclopentyl]methanamine
CID 130544639
5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
CID 118141781
3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53344799
1-(5-bromopyrimidin-2-yl)-5-azatricyclo[5.2.1.03,9]decane
CID 167109977
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol (CID 118138246) is 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol is OC1CC(O)(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol?
The InChIKey is WRQSLKVCDINEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-5-3-10-7(11-4-5)8(13)1-6(12)2-8/h3-4,6,12-13H,1-2H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol?
1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol has a molecular weight of 245.08 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol is sourced from PubChem (CID 118138246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).