5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one

C7H10BrN3O2 — CID 114586302

IUPAC5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c1-9-2-3-13-7-5(8)6(12)10-4-11-7/h4,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyUFONOKXICAUYEY-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.13
Rot. Bonds4

About 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one

5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114586302) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114586302
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCNCCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c1-9-2-3-13-7-5(8)6(12)10-4-11-7/h4,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyUFONOKXICAUYEY-UHFFFAOYSA-N
XLogP0.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-methoxy-1H-pyrimidin-6-one
CID 46705583
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586297
5-iodo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586305
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)-5-methoxy-1H-pyrimidin-6-one
CID 114586358
4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586359
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
5-bromo-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one (CID 114586302) is 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is CNCCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is UFONOKXICAUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-9-2-3-13-7-5(8)6(12)10-4-11-7/h4,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one?
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 248.08 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114586302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).