3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C13H15N3O2 — CID 67458417

IUPAC3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(N2CCOCC2)nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-10-12(15-6-8-18-9-7-15)14-11-4-2-3-5-16(11)13(10)17/h2-5H,6-9H2,1H3
InChIKeyBIJWOCITWIWQLC-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.84
Rot. Bonds1

About 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 67458417) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID67458417
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(N2CCOCC2)nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O2/c1-10-12(15-6-8-18-9-7-15)14-11-4-2-3-5-16(11)13(10)17/h2-5H,6-9H2,1H3
InChIKeyBIJWOCITWIWQLC-UHFFFAOYSA-N
XLogP0.84
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 67458417) is 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1c(N2CCOCC2)nc2ccccn2c1=O.
What is the InChIKey of 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BIJWOCITWIWQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-12(15-6-8-18-9-7-15)14-11-4-2-3-5-16(11)13(10)17/h2-5H,6-9H2,1H3.
What are the key properties of 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67458417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).