1-(5-bromopyrimidin-2-yl)ethane-1,2-diol

C6H7BrN2O2 — CID 130836897

IUPAC1-(5-bromopyrimidin-2-yl)ethane-1,2-diol
SMILESOCC(O)c1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-4-1-8-6(9-2-4)5(11)3-10/h1-2,5,10-11H,3H2
InChIKeyHCTQZRPCBYHBHR-UHFFFAOYSA-N
MW219.04 g/mol
LogP0.26
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol

1-(5-bromopyrimidin-2-yl)ethane-1,2-diol (PubChem CID 130836897) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)ethane-1,2-diol
PubChem CID130836897
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name1-(5-bromopyrimidin-2-yl)ethane-1,2-diol
SMILESOCC(O)c1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-4-1-8-6(9-2-4)5(11)3-10/h1-2,5,10-11H,3H2
InChIKeyHCTQZRPCBYHBHR-UHFFFAOYSA-N
XLogP0.26
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 122701977
(1R)-1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 134543108
3-(5-bromopyrimidin-2-yl)sulfanylpropane-1,2-diol
CID 71862898
4-(5-bromopyrimidin-2-yl)-3,4-dihydroxybutanoic acid
CID 171878730
5-bromo-2-butan-2-ylpyrimidine
CID 130120212
5-methylpyrimidine-2-carbaldehyde;1-(5-methylpyrimidin-2-yl)ethane-1,2-diol
CID 159746073
1-(5-bromopyrimidin-2-yl)-4-(methylamino)butane-1,2-diol
CID 171891272
2-(5-bromopyrimidin-2-yl)-1-cyclopropylethanol
CID 63873450
1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
CID 68710980
5-bromo-2-(3-chlorobutan-2-yl)pyrimidine
CID 63873635
(1R)-2-(5-bromopyrimidin-2-yl)sulfanyl-1-phenylethanol
CID 95186832
3-amino-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 64541504

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol (CID 130836897) is 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol is OCC(O)c1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol?
The InChIKey is HCTQZRPCBYHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-4-1-8-6(9-2-4)5(11)3-10/h1-2,5,10-11H,3H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)ethane-1,2-diol?
1-(5-bromopyrimidin-2-yl)ethane-1,2-diol has a molecular weight of 219.04 g/mol, XLogP of 0.26, 2 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)ethane-1,2-diol is sourced from PubChem (CID 130836897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).