5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one

C11H17BrN2O2 — CID 116705908

IUPAC5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H17BrN2O2/c1-5-16-8(11(2,3)4)9-13-6-7(12)10(15)14-9/h6,8H,5H2,1-4H3,(H,13,14,15)
InChIKeyUKDYIHWFZXWJFM-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.66
Rot. Bonds3

About 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one

5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (PubChem CID 116705908) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
PubChem CID116705908
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C11H17BrN2O2/c1-5-16-8(11(2,3)4)9-13-6-7(12)10(15)14-9/h6,8H,5H2,1-4H3,(H,13,14,15)
InChIKeyUKDYIHWFZXWJFM-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66314911
5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 66316362
5-Bromo-2-(ethoxymethyl)pyrimidin-4-ol
CID 66316575
5-bromo-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79077875
5-bromo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202712
5-bromo-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79616510
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79666747
5-bromo-2-(4-propylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79668921
5-bromo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249168
5-(aminomethyl)-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 113558363
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705563
2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one (CID 116705908) is 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is CCOC(c1ncc(Br)c(=O)[nH]1)C(C)(C)C.
What is the InChIKey of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
The InChIKey is UKDYIHWFZXWJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-5-16-8(11(2,3)4)9-13-6-7(12)10(15)14-9/h6,8H,5H2,1-4H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one has a molecular weight of 289.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).