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

C12H18BrN3O — CID 66309019

IUPAC5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H18BrN3O/c1-10-14-9-11(13)12(17)16(10)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3
InChIKeyOTIOWXFNHWZTDG-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.80
Rot. Bonds3

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

5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66309019) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID66309019
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCN1CCCCC1
InChIInChI=1S/C12H18BrN3O/c1-10-14-9-11(13)12(17)16(10)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3
InChIKeyOTIOWXFNHWZTDG-UHFFFAOYSA-N
XLogP1.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one (CID 66309019) is 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CCN1CCCCC1.
What is the InChIKey of 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is OTIOWXFNHWZTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-10-14-9-11(13)12(17)16(10)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 300.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).