7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C21H24N4O2 — CID 11428504

IUPAC7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(NCc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C21H24N4O2/c1-15-11-18(22-13-17-6-4-3-5-16(17)2)21-23-19(12-20(26)25(21)14-15)24-7-9-27-10-8-24/h3-6,11-12,14,22H,7-10,13H2,1-2H3
InChIKeyGJEIGDFMFRYVLI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.76
Rot. Bonds4

About 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 11428504) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID11428504
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(NCc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C21H24N4O2/c1-15-11-18(22-13-17-6-4-3-5-16(17)2)21-23-19(12-20(26)25(21)14-15)24-7-9-27-10-8-24/h3-6,11-12,14,22H,7-10,13H2,1-2H3
InChIKeyGJEIGDFMFRYVLI-UHFFFAOYSA-N
XLogP2.76
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 11428504) is 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(NCc2ccccc2C)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GJEIGDFMFRYVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-18(22-13-17-6-4-3-5-16(17)2)21-23-19(12-20(26)25(21)14-15)24-7-9-27-10-8-24/h3-6,11-12,14,22H,7-10,13H2,1-2H3.
What are the key properties of 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-[(2-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11428504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).