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

C16H21N3O2 — CID 103914795

IUPAC2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)C1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-12(13-5-8-21-9-6-13)17-11-14-10-16(20)19-7-3-2-4-15(19)18-14/h2-4,7,10,12-13,17H,5-6,8-9,11H2,1H3
InChIKeyLNUPTBLQLBTKGL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.60
Rot. Bonds4

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

2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 103914795) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID103914795
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(NCc1cc(=O)n2ccccc2n1)C1CCOCC1
InChIInChI=1S/C16H21N3O2/c1-12(13-5-8-21-9-6-13)17-11-14-10-16(20)19-7-3-2-4-15(19)18-14/h2-4,7,10,12-13,17H,5-6,8-9,11H2,1H3
InChIKeyLNUPTBLQLBTKGL-UHFFFAOYSA-N
XLogP1.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2-methyl-5-(oxan-4-ylmethyl)-3H-imidazo[4,5-c]pyridin-3-ium-4-one
CID 143162877
Ethyl 1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8481138
6-Methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8546221
Methyl 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8555322
Ethyl 1-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8931113
Ethyl 1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-4-carboxylate
CID 9319774
2-[(3-Methylpentan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104757
2-[[(3-Methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104803
2-[(Oxan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55188776
1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentylpiperidine-4-carboxamide
CID 55852791
N-(3-methylbutan-2-yl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
CID 56358437

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 103914795) is 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC(NCc1cc(=O)n2ccccc2n1)C1CCOCC1.
What is the InChIKey of 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LNUPTBLQLBTKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(13-5-8-21-9-6-13)17-11-14-10-16(20)19-7-3-2-4-15(19)18-14/h2-4,7,10,12-13,17H,5-6,8-9,11H2,1H3.
What are the key properties of 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxan-4-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 103914795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).