2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H17N3O — CID 115031498

IUPAC2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2n1CCCC2
InChIInChI=1S/C12H17N3O/c16-12-7-10(9-4-5-13-8-9)14-11-3-1-2-6-15(11)12/h7,9,13H,1-6,8H2
InChIKeyBEZPTNPUPBPYQT-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.66
Rot. Bonds1

About 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115031498) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115031498
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNC2)nc2n1CCCC2
InChIInChI=1S/C12H17N3O/c16-12-7-10(9-4-5-13-8-9)14-11-3-1-2-6-15(11)12/h7,9,13H,1-6,8H2
InChIKeyBEZPTNPUPBPYQT-UHFFFAOYSA-N
XLogP0.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115031498) is 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNC2)nc2n1CCCC2.
What is the InChIKey of 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BEZPTNPUPBPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-7-10(9-4-5-13-8-9)14-11-3-1-2-6-15(11)12/h7,9,13H,1-6,8H2.
What are the key properties of 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115031498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).