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

C11H16BrN3O — CID 66308164

IUPAC5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC1CCNCC1
InChIInChI=1S/C11H16BrN3O/c1-8-14-6-10(12)11(16)15(8)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeyVPSWSDCGIWRTPE-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.31
Rot. Bonds2

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

5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one (PubChem CID 66308164) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
PubChem CID66308164
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC1CCNCC1
InChIInChI=1S/C11H16BrN3O/c1-8-14-6-10(12)11(16)15(8)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3
InChIKeyVPSWSDCGIWRTPE-UHFFFAOYSA-N
XLogP1.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one (CID 66308164) is 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CC1CCNCC1.
What is the InChIKey of 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The InChIKey is VPSWSDCGIWRTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8-14-6-10(12)11(16)15(8)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one has a molecular weight of 286.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66308164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).