2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol

C6H7BrN2O2 — CID 169434209

IUPAC2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol
SMILES[2H]C([2H])(O)C([2H])([2H])Oc1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-6(9-4-5)11-2-1-10/h3-4,10H,1-2H2/i1D2,2D2
InChIKeyIZOVVFPEDIYGKF-LNLMKGTHSA-N
MW223.06 g/mol
LogP0.61
Rot. Bonds3

About 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol

2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol (PubChem CID 169434209) has the molecular formula C6H7BrN2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol.

Molecular Properties

Compound Name2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol
PubChem CID169434209
Molecular FormulaC6H7BrN2O2
Molecular Weight223.06 g/mol
Exact Mass221.99
IUPAC Name2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol
SMILES[2H]C([2H])(O)C([2H])([2H])Oc1ncc(Br)cn1
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-6(9-4-5)11-2-1-10/h3-4,10H,1-2H2/i1D2,2D2
InChIKeyIZOVVFPEDIYGKF-LNLMKGTHSA-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 ≤ 500223.06
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol?
The IUPAC name of 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol (CID 169434209) is 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol.
What is the SMILES notation for 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol?
The canonical SMILES for 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol is [2H]C([2H])(O)C([2H])([2H])Oc1ncc(Br)cn1.
What is the InChIKey of 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol?
The InChIKey is IZOVVFPEDIYGKF-LNLMKGTHSA-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/i1D2,2D2.
What are the key properties of 2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol?
2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethanol has a molecular weight of 223.06 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)oxy-1,1,2,2-tetradeuterioethanol is sourced from PubChem (CID 169434209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).