5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one

C11H16BrN3O — CID 66310180

IUPAC5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCCC1CCCN1
InChIInChI=1S/C11H16BrN3O/c12-10-7-13-8-15(11(10)16)6-2-4-9-3-1-5-14-9/h7-9,14H,1-6H2
InChIKeyNDMBBBFQKANSMC-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.54
Rot. Bonds4

About 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one

5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one (PubChem CID 66310180) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
PubChem CID66310180
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCCC1CCCN1
InChIInChI=1S/C11H16BrN3O/c12-10-7-13-8-15(11(10)16)6-2-4-9-3-1-5-14-9/h7-9,14H,1-6H2
InChIKeyNDMBBBFQKANSMC-UHFFFAOYSA-N
XLogP1.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one (CID 66310180) is 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one is O=c1c(Br)cncn1CCCC1CCCN1.
What is the InChIKey of 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
The InChIKey is NDMBBBFQKANSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-7-13-8-15(11(10)16)6-2-4-9-3-1-5-14-9/h7-9,14H,1-6H2.
What are the key properties of 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one?
5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one has a molecular weight of 286.17 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 66310180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).