2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H16N4O2 — CID 166692610

IUPAC2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@H](CNCc2cc(=O)n3ccccc3n2)N1
InChIInChI=1S/C14H16N4O2/c19-13-5-4-10(17-13)8-15-9-11-7-14(20)18-6-2-1-3-12(18)16-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,17,19)/t10-/m1/s1
InChIKeyAEYIIXWJAKSYDX-SNVBAGLBSA-N
MW272.31 g/mol
LogP0.06
Rot. Bonds4

About 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166692610) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID166692610
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@H](CNCc2cc(=O)n3ccccc3n2)N1
InChIInChI=1S/C14H16N4O2/c19-13-5-4-10(17-13)8-15-9-11-7-14(20)18-6-2-1-3-12(18)16-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,17,19)/t10-/m1/s1
InChIKeyAEYIIXWJAKSYDX-SNVBAGLBSA-N
XLogP0.06
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 166692610) is 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CC[C@H](CNCc2cc(=O)n3ccccc3n2)N1.
What is the InChIKey of 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AEYIIXWJAKSYDX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-5-4-10(17-13)8-15-9-11-7-14(20)18-6-2-1-3-12(18)16-11/h1-3,6-7,10,15H,4-5,8-9H2,(H,17,19)/t10-/m1/s1.
What are the key properties of 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166692610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).