3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C14H17N3O2 — CID 175524753

IUPAC3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(N2CCOCC2)nc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-12-15-13(11(2)14(18)17(10)12)16-6-8-19-9-7-16/h3-5H,6-9H2,1-2H3
InChIKeyPQRROILKUXQAHB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.15
Rot. Bonds1

About 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 175524753) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID175524753
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(N2CCOCC2)nc2cccc(C)n2c1=O
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-12-15-13(11(2)14(18)17(10)12)16-6-8-19-9-7-16/h3-5H,6-9H2,1-2H3
InChIKeyPQRROILKUXQAHB-UHFFFAOYSA-N
XLogP1.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 175524753) is 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1c(N2CCOCC2)nc2cccc(C)n2c1=O.
What is the InChIKey of 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PQRROILKUXQAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-3-5-12-15-13(11(2)14(18)17(10)12)16-6-8-19-9-7-16/h3-5H,6-9H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175524753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).