5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane

C12H17BrN2O — CID 178039114

IUPAC5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane
SMILESCC.OC1(c2ncc(Br)cn2)CC2(CC2)C1
InChIInChI=1S/C10H11BrN2O.C2H6/c11-7-3-12-8(13-4-7)10(14)5-9(6-10)1-2-9;1-2/h3-4,14H,1-2,5-6H2;1-2H3
InChIKeyYEDTZFCAQZOIQP-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.03
Rot. Bonds1

About 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane

5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane (PubChem CID 178039114) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane.

Molecular Properties

Compound Name5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane
PubChem CID178039114
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane
SMILESCC.OC1(c2ncc(Br)cn2)CC2(CC2)C1
InChIInChI=1S/C10H11BrN2O.C2H6/c11-7-3-12-8(13-4-7)10(14)5-9(6-10)1-2-9;1-2/h3-4,14H,1-2,5-6H2;1-2H3
InChIKeyYEDTZFCAQZOIQP-UHFFFAOYSA-N
XLogP3.03
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromopyrimidin-2-yl)cyclobutane-1,3-diol
CID 118138246
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-bromo-2-(4-fluorooxan-4-yl)pyrimidine
CID 118141781
CID 178039441
CID 178039441
1-(5-bromopyrimidin-2-yl)-4-(3,5-dimethoxyphenyl)piperidin-4-ol
CID 133362597
5-(5-bromopyrimidin-2-yl)-5-azaspiro[2.4]heptane
CID 131000915
[1-(5-bromopyrimidin-2-yl)cyclopentyl]methanamine
CID 130544639
3-(5-bromopyrimidin-2-yl)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethylcyclobutan-1-ol
CID 140746327
4-(5-bromopyrimidin-2-yl)-1-cyclopropylpiperidin-4-amine
CID 165458571
5-bromo-2-methylpyrimidine
CID 14387744

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane?
The IUPAC name of 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane (CID 178039114) is 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane.
What is the SMILES notation for 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane?
The canonical SMILES for 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane is CC.OC1(c2ncc(Br)cn2)CC2(CC2)C1.
What is the InChIKey of 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane?
The InChIKey is YEDTZFCAQZOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O.C2H6/c11-7-3-12-8(13-4-7)10(14)5-9(6-10)1-2-9;1-2/h3-4,14H,1-2,5-6H2;1-2H3.
What are the key properties of 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane?
5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane has a molecular weight of 285.19 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopyrimidin-2-yl)spiro[2.3]hexan-5-ol;ethane is sourced from PubChem (CID 178039114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).