7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C21H24N4O2 — CID 68547896

IUPAC7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(CNc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C21H24N4O2/c1-15-4-3-5-17(10-15)13-22-18-11-16(2)14-25-20(26)12-19(23-21(18)25)24-6-8-27-9-7-24/h3-5,10-12,14,22H,6-9,13H2,1-2H3
InChIKeyXAGGIZNFVKTVJG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.76
Rot. Bonds4

About 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 68547896) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID68547896
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc(CNc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C21H24N4O2/c1-15-4-3-5-17(10-15)13-22-18-11-16(2)14-25-20(26)12-19(23-21(18)25)24-6-8-27-9-7-24/h3-5,10-12,14,22H,6-9,13H2,1-2H3
InChIKeyXAGGIZNFVKTVJG-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-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 68547896) is 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cccc(CNc2cc(C)cn3c(=O)cc(N4CCOCC4)nc23)c1.
What is the InChIKey of 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XAGGIZNFVKTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-4-3-5-17(10-15)13-22-18-11-16(2)14-25-20(26)12-19(23-21(18)25)24-6-8-27-9-7-24/h3-5,10-12,14,22H,6-9,13H2,1-2H3.
What are the key properties of 7-methyl-9-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
7-methyl-9-[(3-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-[(3-methylphenyl)methylamino]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 68547896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).