2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H20N4O2 — CID 51250244

IUPAC2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CC(=O)N1CCCC1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H20N4O2/c1-18(12-16(22)19-7-4-5-8-19)11-13-10-15(21)20-9-3-2-6-14(20)17-13/h2-3,6,9-10H,4-5,7-8,11-12H2,1H3
InChIKeyXJSTYMVIKKEEHC-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.75
Rot. Bonds4

About 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51250244) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51250244
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CC(=O)N1CCCC1)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H20N4O2/c1-18(12-16(22)19-7-4-5-8-19)11-13-10-15(21)20-9-3-2-6-14(20)17-13/h2-3,6,9-10H,4-5,7-8,11-12H2,1H3
InChIKeyXJSTYMVIKKEEHC-UHFFFAOYSA-N
XLogP0.75
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51250244) is 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(CC(=O)N1CCCC1)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XJSTYMVIKKEEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18(12-16(22)19-7-4-5-8-19)11-13-10-15(21)20-9-3-2-6-14(20)17-13/h2-3,6,9-10H,4-5,7-8,11-12H2,1H3.
What are the key properties of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51250244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).