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

C15H18N4O2 — CID 168723228

IUPAC2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)CC1CCC(=O)N1
InChIInChI=1S/C15H18N4O2/c1-18(9-11-5-6-14(20)17-11)10-12-8-15(21)19-7-3-2-4-13(19)16-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,20)
InChIKeyMYIOIXNWUGDRHU-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.40
Rot. Bonds4

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

2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 168723228) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID168723228
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(Cc1cc(=O)n2ccccc2n1)CC1CCC(=O)N1
InChIInChI=1S/C15H18N4O2/c1-18(9-11-5-6-14(20)17-11)10-12-8-15(21)19-7-3-2-4-13(19)16-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,20)
InChIKeyMYIOIXNWUGDRHU-UHFFFAOYSA-N
XLogP0.40
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 168723228) is 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(Cc1cc(=O)n2ccccc2n1)CC1CCC(=O)N1.
What is the InChIKey of 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MYIOIXNWUGDRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(9-11-5-6-14(20)17-11)10-12-8-15(21)19-7-3-2-4-13(19)16-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,17,20).
What are the key properties of 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 168723228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).