4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one

C12H13N3O — CID 12843612

IUPAC4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(N2CCCC2)n2ccccc2n1
InChIInChI=1S/C12H13N3O/c16-11-9-12(14-6-3-4-7-14)15-8-2-1-5-10(15)13-11/h1-2,5,8-9H,3-4,6-7H2
InChIKeyIIOLKVITGNYICZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.29
Rot. Bonds1

About 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one

4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one (PubChem CID 12843612) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one
PubChem CID12843612
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(N2CCCC2)n2ccccc2n1
InChIInChI=1S/C12H13N3O/c16-11-9-12(14-6-3-4-7-14)15-8-2-1-5-10(15)13-11/h1-2,5,8-9H,3-4,6-7H2
InChIKeyIIOLKVITGNYICZ-UHFFFAOYSA-N
XLogP1.29
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one (CID 12843612) is 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one is O=c1cc(N2CCCC2)n2ccccc2n1.
What is the InChIKey of 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one?
The InChIKey is IIOLKVITGNYICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-11-9-12(14-6-3-4-7-14)15-8-2-1-5-10(15)13-11/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one?
4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 12843612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).