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

C8H12BrN3O2 — CID 66286963

IUPAC5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H12BrN3O2/c1-3-12(4-2)8-10-6(13)5(9)7(14)11-8/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyODIZBORDWJUPBC-UHFFFAOYSA-N
MW262.11 g/mol
LogP1.08
Rot. Bonds3

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

5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66286963) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66286963
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCN(CC)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C8H12BrN3O2/c1-3-12(4-2)8-10-6(13)5(9)7(14)11-8/h3-4H2,1-2H3,(H2,10,11,13,14)
InChIKeyODIZBORDWJUPBC-UHFFFAOYSA-N
XLogP1.08
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2-(dimethylamino)pyrimidin-4(3H)-one
CID 15620533
2-Diethylamino-4,6-dihydroxy-pyrimidine
CID 21415038
5-bromo-2-(diethylamino)-1H-pyrimidin-6-one
CID 54279750
5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 66285353
2-(diethylamino)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612947
5-bromo-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 66284764
5-bromo-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66284955
5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 66285556
2-(diethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285761
2-(azepan-1-yl)-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 66286966
5-bromo-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 66286967
5-bromo-2-(diethylamino)-4-methyl-1H-pyrimidin-6-one
CID 136256518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 66286963) is 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one is CCN(CC)c1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ODIZBORDWJUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-3-12(4-2)8-10-6(13)5(9)7(14)11-8/h3-4H2,1-2H3,(H2,10,11,13,14).
What are the key properties of 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 262.11 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66286963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).