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

C6H8BrN3O2 — CID 114586359

IUPAC4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
SMILESNCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C6H8BrN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyWGRWXIYJCONGEA-UHFFFAOYSA-N
MW234.05 g/mol
LogP-0.13
Rot. Bonds3

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

4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one (PubChem CID 114586359) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
PubChem CID114586359
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
SMILESNCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C6H8BrN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11)
InChIKeyWGRWXIYJCONGEA-UHFFFAOYSA-N
XLogP-0.13
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 114675908
5-bromo-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 114676546
5-bromo-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 114676564
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-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
4-(2-aminoethoxy)-1H-pyrimidin-6-one
CID 114586354
4-(2-aminoethoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586362
4-(3-aminopropoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586369
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385
4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one
CID 114586447

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one (CID 114586359) is 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one is NCCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one?
The InChIKey is WGRWXIYJCONGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c7-4-5(11)9-3-10-6(4)12-2-1-8/h3H,1-2,8H2,(H,9,10,11).
What are the key properties of 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one?
4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one has a molecular weight of 234.05 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 114586359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).