4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one

C9H11BrN4O2 — CID 103726622

IUPAC4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one
SMILESCOc1nc(N2CCNC(=O)C2)ncc1Br
InChIInChI=1S/C9H11BrN4O2/c1-16-8-6(10)4-12-9(13-8)14-3-2-11-7(15)5-14/h4H,2-3,5H2,1H3,(H,11,15)
InChIKeyNYUPZOKJYLSCQI-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.18
Rot. Bonds2

About 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one

4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one (PubChem CID 103726622) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one
PubChem CID103726622
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one
SMILESCOc1nc(N2CCNC(=O)C2)ncc1Br
InChIInChI=1S/C9H11BrN4O2/c1-16-8-6(10)4-12-9(13-8)14-3-2-11-7(15)5-14/h4H,2-3,5H2,1H3,(H,11,15)
InChIKeyNYUPZOKJYLSCQI-UHFFFAOYSA-N
XLogP0.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methoxy-2-pyrrolidin-1-ylpyrimidine
CID 103726579
4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 103745953
4-(5-bromo-4-methoxypyrimidin-2-yl)-3-ethylpiperazin-2-one
CID 106998920
4-(5-hydroxypyrimidin-2-yl)piperazin-2-one
CID 170608723
2-(5-bromo-4-methoxypyrimidin-2-yl)-1,3-dihydroisoindole
CID 113253600
5-bromo-4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103746059
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
5-bromo-2-(3,4-dimethylpiperidin-1-yl)-4-methoxypyrimidine
CID 103878203
3-(5-bromo-4-methoxypyrimidin-2-yl)-3-azaspiro[5.5]undecane
CID 106998896
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
CID 80763853
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
2-(5-bromo-4-methoxypyrimidin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103875831

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one?
The IUPAC name of 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one (CID 103726622) is 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one is COc1nc(N2CCNC(=O)C2)ncc1Br.
What is the InChIKey of 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one?
The InChIKey is NYUPZOKJYLSCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c1-16-8-6(10)4-12-9(13-8)14-3-2-11-7(15)5-14/h4H,2-3,5H2,1H3,(H,11,15).
What are the key properties of 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one?
4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one has a molecular weight of 287.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one is sourced from PubChem (CID 103726622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).