9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

C13H15N3O3 — CID 68757668

IUPAC9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1COCCN1c1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C13H15N3O3/c1-9-8-19-6-5-15(9)11-7-12(18)16-4-2-3-10(17)13(16)14-11/h2-4,7,9,17H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyLYFJEPAQKLQKOC-VIFPVBQESA-N
MW261.28 g/mol
LogP0.63
Rot. Bonds1

About 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 68757668) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID68757668
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H]1COCCN1c1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C13H15N3O3/c1-9-8-19-6-5-15(9)11-7-12(18)16-4-2-3-10(17)13(16)14-11/h2-4,7,9,17H,5-6,8H2,1H3/t9-/m0/s1
InChIKeyLYFJEPAQKLQKOC-VIFPVBQESA-N
XLogP0.63
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (CID 68757668) is 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is C[C@H]1COCCN1c1cc(=O)n2cccc(O)c2n1.
What is the InChIKey of 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LYFJEPAQKLQKOC-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-8-19-6-5-15(9)11-7-12(18)16-4-2-3-10(17)13(16)14-11/h2-4,7,9,17H,5-6,8H2,1H3/t9-/m0/s1.
What are the key properties of 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.28 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[(3S)-3-methylmorpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68757668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).