5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C12H16BrN3O2 — CID 66309620

IUPAC5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCCCC2)c(=O)c1Br
InChIInChI=1S/C12H16BrN3O2/c1-9-11(13)12(18)16(8-14-9)7-10(17)15-5-3-2-4-6-15/h8H,2-7H2,1H3
InChIKeyMEOCXLZFUGJLBN-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.33
Rot. Bonds2

About 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66309620) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID66309620
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCCCC2)c(=O)c1Br
InChIInChI=1S/C12H16BrN3O2/c1-9-11(13)12(18)16(8-14-9)7-10(17)15-5-3-2-4-6-15/h8H,2-7H2,1H3
InChIKeyMEOCXLZFUGJLBN-UHFFFAOYSA-N
XLogP1.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 66307930
5,6-dimethyl-3-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122343093
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
5-bromo-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66311109
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
CID 106439728
1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944318
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 39891679
5,6-dimethyl-3-[2-oxo-2-[(3S)-3-phenylazepan-1-yl]ethyl]pyrimidin-4-one
CID 129354905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 66309620) is 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CC(=O)N2CCCCC2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is MEOCXLZFUGJLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-9-11(13)12(18)16(8-14-9)7-10(17)15-5-3-2-4-6-15/h8H,2-7H2,1H3.
What are the key properties of 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 314.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).