5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

C9H11BrN2O2 — CID 106203664

IUPAC5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CC2)c1Br
InChIInChI=1S/C9H11BrN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyLZWPKQLEXTZCRM-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.71
Rot. Bonds4

About 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one

5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (PubChem CID 106203664) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
PubChem CID106203664
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CC2)c1Br
InChIInChI=1S/C9H11BrN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyLZWPKQLEXTZCRM-UHFFFAOYSA-N
XLogP1.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983141
5-bromo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284594
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203666
5-bromo-4-(2-cyclobutylethoxy)-1H-pyrimidin-6-one
CID 106203687
5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106207963
4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106207968
5-bromo-4-[2-(2-methylpropoxy)ethoxy]-1H-pyrimidin-6-one
CID 106448544
5-bromo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666427
5-bromo-4-hexoxy-1H-pyrimidin-6-one
CID 114675879
5-bromo-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 114675903
5-bromo-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 114676087

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one (CID 106203664) is 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
The InChIKey is LZWPKQLEXTZCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one?
5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one has a molecular weight of 259.10 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 106203664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).