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

C15H19N3O2 — CID 104696512

IUPAC2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)C1CCOC1
InChIInChI=1S/C15H19N3O2/c1-11(12-5-7-20-10-12)16-9-13-8-15(19)18-6-3-2-4-14(18)17-13/h2-4,6,8,11-12,16H,5,7,9-10H2,1H3
InChIKeyGMOODVSRQUNZRD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds4

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

2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 104696512) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID104696512
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)C1CCOC1
InChIInChI=1S/C15H19N3O2/c1-11(12-5-7-20-10-12)16-9-13-8-15(19)18-6-3-2-4-14(18)17-13/h2-4,6,8,11-12,16H,5,7,9-10H2,1H3
InChIKeyGMOODVSRQUNZRD-UHFFFAOYSA-N
XLogP1.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 104696512) is 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(NCc1cc(=O)n2ccccc2n1)C1CCOC1.
What is the InChIKey of 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GMOODVSRQUNZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(12-5-7-20-10-12)16-9-13-8-15(19)18-6-3-2-4-14(18)17-13/h2-4,6,8,11-12,16H,5,7,9-10H2,1H3.
What are the key properties of 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 104696512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).