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

C6H8BrN3O2 — CID 66285556

IUPAC5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H8BrN3O2/c1-10(2)6-8-4(11)3(7)5(12)9-6/h1-2H3,(H2,8,9,11,12)
InChIKeyUOVWTMYUGUZMEE-UHFFFAOYSA-N
MW234.05 g/mol
LogP0.30
Rot. Bonds1

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

5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66285556) has the molecular formula C6H8BrN3O2 and a molecular weight of 234.05 g/mol. Its IUPAC name is 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66285556
Molecular FormulaC6H8BrN3O2
Molecular Weight234.05 g/mol
Exact Mass232.98
IUPAC Name5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)c1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H8BrN3O2/c1-10(2)6-8-4(11)3(7)5(12)9-6/h1-2H3,(H2,8,9,11,12)
InChIKeyUOVWTMYUGUZMEE-UHFFFAOYSA-N
XLogP0.30
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.05
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-4-hydroxy-1H-pyrimidin-6-one
CID 240897
5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
CID 66285353
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
5-bromo-4-chloro-2-(dimethylamino)-1H-pyrimidin-6-one
CID 142962736
2-(dimethylamino)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286571
5-bromo-2-(diethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 66286963
1-(5-Bromo-3-methyl-2,6-dioxopyrimidin-4-yl)-2-methylguanidine
CID 162074520

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 66285556) is 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one is CN(C)c1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UOVWTMYUGUZMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O2/c1-10(2)6-8-4(11)3(7)5(12)9-6/h1-2H3,(H2,8,9,11,12).
What are the key properties of 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 234.05 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66285556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).