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

C15H19N3O2 — CID 62668967

IUPAC2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)C1CCCO1
InChIInChI=1S/C15H19N3O2/c1-11(13-5-4-8-20-13)16-10-12-9-15(19)18-7-3-2-6-14(18)17-12/h2-3,6-7,9,11,13,16H,4-5,8,10H2,1H3
InChIKeyYNCIJBGUXLJJSW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds4

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

2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62668967) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62668967
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)C1CCCO1
InChIInChI=1S/C15H19N3O2/c1-11(13-5-4-8-20-13)16-10-12-9-15(19)18-7-3-2-6-14(18)17-12/h2-3,6-7,9,11,13,16H,4-5,8,10H2,1H3
InChIKeyYNCIJBGUXLJJSW-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62668967) is 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(NCc1cc(=O)n2ccccc2n1)C1CCCO1.
What is the InChIKey of 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YNCIJBGUXLJJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(13-5-4-8-20-13)16-10-12-9-15(19)18-7-3-2-6-14(18)17-12/h2-3,6-7,9,11,13,16H,4-5,8,10H2,1H3.
What are the key properties of 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 273.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxolan-2-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62668967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).