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

C11H16BrN3O — CID 66308142

IUPAC5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCCC2)c(=O)c1Br
InChIInChI=1S/C11H16BrN3O/c1-9-10(12)11(16)15(8-13-9)7-6-14-4-2-3-5-14/h8H,2-7H2,1H3
InChIKeyWSSPWUPBSJLDDS-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.41
Rot. Bonds3

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

5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66308142) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID66308142
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncn(CCN2CCCC2)c(=O)c1Br
InChIInChI=1S/C11H16BrN3O/c1-9-10(12)11(16)15(8-13-9)7-6-14-4-2-3-5-14/h8H,2-7H2,1H3
InChIKeyWSSPWUPBSJLDDS-UHFFFAOYSA-N
XLogP1.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 66308142) is 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Cc1ncn(CCN2CCCC2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is WSSPWUPBSJLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-9-10(12)11(16)15(8-13-9)7-6-14-4-2-3-5-14/h8H,2-7H2,1H3.
What are the key properties of 5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 286.17 g/mol, XLogP of 1.41, 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-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66308142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).