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

C8H12BrN3O — CID 54279750

IUPAC5-bromo-2-(diethylamino)-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C8H12BrN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyZOXRGNHLZWJAFW-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.38
Rot. Bonds3

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

5-bromo-2-(diethylamino)-1H-pyrimidin-6-one (PubChem CID 54279750) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(diethylamino)-1H-pyrimidin-6-one
PubChem CID54279750
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name5-bromo-2-(diethylamino)-1H-pyrimidin-6-one
SMILESCCN(CC)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C8H12BrN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyZOXRGNHLZWJAFW-UHFFFAOYSA-N
XLogP1.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Ctk1F7610
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N'-(5-bromo-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylmethanimidamide
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2-(diethylamino)-5-fluoro-1H-pyrimidin-6-one
CID 124909092
5-Bromo-2-(dimethylamino)pyrimidin-4(3H)-one
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5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 66314500
5-bromo-2-(pentylamino)-1H-pyrimidin-6-one
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5-bromo-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 124016738
4-amino-5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198828
ethane;1-methyl-2-methylimino-5H-pyrimidin-5-id-4-one;rubidium(1+)
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one (CID 54279750) is 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one is CCN(CC)c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one?
The InChIKey is ZOXRGNHLZWJAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-3-12(4-2)8-10-5-6(9)7(13)11-8/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one?
5-bromo-2-(diethylamino)-1H-pyrimidin-6-one has a molecular weight of 246.11 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(diethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 54279750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).