5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C13H20BrN3O — CID 107913278

IUPAC5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCc1ncn(CCC2CCCCN2C)c(=O)c1Br
InChIInChI=1S/C13H20BrN3O/c1-10-12(14)13(18)17(9-15-10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3
InChIKeyVUMZASTZIZIHAE-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.19
Rot. Bonds3

About 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913278) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913278
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCc1ncn(CCC2CCCCN2C)c(=O)c1Br
InChIInChI=1S/C13H20BrN3O/c1-10-12(14)13(18)17(9-15-10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3
InChIKeyVUMZASTZIZIHAE-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-octyl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510783
5-Bromo-3-hexyl-6-methylpyrimidin-4-one
CID 66307913
5-Bromo-3-[3-(cyclohexylamino)propyl]-6-methylpyrimidin-4-one
CID 66308151
5-Bromo-3-decyl-6-methylpyrimidin-4-one
CID 66308354
5-Bromo-3-(2-ethylhexyl)-6-methylpyrimidin-4-one
CID 66308355
5-Bromo-3-heptyl-6-methylpyrimidin-4-one
CID 66308532
5-Bromo-6-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66308545
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
5-Bromo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308960
5-Bromo-6-methyl-3-nonylpyrimidin-4-one
CID 66309179
5-Bromo-6-methyl-3-pentylpyrimidin-4-one
CID 66309412
5-Bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913278) is 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is Cc1ncn(CCC2CCCCN2C)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is VUMZASTZIZIHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-10-12(14)13(18)17(9-15-10)8-6-11-5-3-4-7-16(11)2/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
5-bromo-6-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 314.23 g/mol, XLogP of 2.19, 3 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-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).