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

C8H12BrN3O2 — CID 114676263

IUPAC5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyVUNNKQFJWYMFLE-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.47
Rot. Bonds4

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

5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114676263) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114676263
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C8H12BrN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyVUNNKQFJWYMFLE-UHFFFAOYSA-N
XLogP0.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.47
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
5-bromo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983141
4-[2-(dimethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241380
4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241383
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)-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
4-(azetidin-3-yloxy)-5-bromo-1H-pyrimidin-6-one
CID 114586447

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (CID 114676263) is 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is CN(C)CCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is VUNNKQFJWYMFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 262.11 g/mol, XLogP of 0.47, 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-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).