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

C10H14BrN3O2 — CID 114676266

IUPAC5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCN2CCCC2)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6H2,(H,12,13,15)
InChIKeyQBSXYAGADRXOOK-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.01
Rot. Bonds4

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

5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114676266) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114676266
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCN2CCCC2)c1Br
InChIInChI=1S/C10H14BrN3O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6H2,(H,12,13,15)
InChIKeyQBSXYAGADRXOOK-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241431
5-bromo-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586292
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586321
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586359
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385
5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676263
5-chloro-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 114676264

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 114676266) is 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCN2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is QBSXYAGADRXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c11-8-9(15)12-7-13-10(8)16-6-5-14-3-1-2-4-14/h7H,1-6H2,(H,12,13,15).
What are the key properties of 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one?
5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).