2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H20N4O — CID 62669516

IUPAC2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCC(CNCc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H20N4O/c1-18-7-5-12(11-18)9-16-10-13-8-15(20)19-6-3-2-4-14(19)17-13/h2-4,6,8,12,16H,5,7,9-11H2,1H3
InChIKeyXUQOBHBNRZFFQF-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.74
Rot. Bonds4

About 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62669516) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62669516
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCC(CNCc2cc(=O)n3ccccc3n2)C1
InChIInChI=1S/C15H20N4O/c1-18-7-5-12(11-18)9-16-10-13-8-15(20)19-6-3-2-4-14(19)17-13/h2-4,6,8,12,16H,5,7,9-11H2,1H3
InChIKeyXUQOBHBNRZFFQF-UHFFFAOYSA-N
XLogP0.74
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62669516) is 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN1CCC(CNCc2cc(=O)n3ccccc3n2)C1.
What is the InChIKey of 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XUQOBHBNRZFFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-7-5-12(11-18)9-16-10-13-8-15(20)19-6-3-2-4-14(19)17-13/h2-4,6,8,12,16H,5,7,9-11H2,1H3.
What are the key properties of 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62669516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).