5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine

C9H13BrN2O — CID 155756934

IUPAC5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
SMILESCCOC(C)(C)c1ncc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-4-13-9(2,3)8-11-5-7(10)6-12-8/h5-6H,4H2,1-3H3
InChIKeyFCOYATBHKKUVTF-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.51
Rot. Bonds3

About 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine

5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine (PubChem CID 155756934) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
PubChem CID155756934
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
SMILESCCOC(C)(C)c1ncc(Br)cn1
InChIInChI=1S/C9H13BrN2O/c1-4-13-9(2,3)8-11-5-7(10)6-12-8/h5-6H,4H2,1-3H3
InChIKeyFCOYATBHKKUVTF-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
CID 118138846
(1R)-1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431278
1-[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731311
N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206482
4-chloro-2-(2-ethoxypropan-2-yl)pyrimidine
CID 116706185
1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
5-bromo-2-(2-ethoxypropan-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 116729311
3-bromo-5-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116704430
(3R)-3-(5-bromopyrimidin-2-yl)-3-hydroxybutanenitrile
CID 176711312
1-[2-(2-ethoxypropan-2-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731058
5-bromo-2-(2-ethoxypropan-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 116729553
N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62291381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine (CID 155756934) is 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine is CCOC(C)(C)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine?
The InChIKey is FCOYATBHKKUVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-4-13-9(2,3)8-11-5-7(10)6-12-8/h5-6H,4H2,1-3H3.
What are the key properties of 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine?
5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine has a molecular weight of 245.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 155756934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).