[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C21H25N4O2+ — CID 9255085

About [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 9255085) has the molecular formula C21H25N4O2+ and a molecular weight of 365.46 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
• PubChem CID: 9255085
• Molecular Formula: C21H25N4O2+
• Molecular Weight: 365.46 g/mol
• Exact Mass: 365.20
• IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
• SMILES: Cc1cccc(NC(=O)C[NH+](C)Cc2cc(=O)n3c(C)cccc3n2)c1C
• InChI: InChI=1S/C21H24N4O2/c1-14-7-5-9-18(16(14)3)23-20(26)13-24(4)12-17-11-21(27)25-15(2)8-6-10-19(25)22-17/h5-11H,12-13H2,1-4H3,(H,23,26)/p+1
• InChIKey: VRVTVMQGOGPOFR-UHFFFAOYSA-O
• XLogP: 1.27
• TPSA: 67.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.46
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?

The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 9255085) is [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?

The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1cccc(NC(=O)C[NH+](C)Cc2cc(=O)n3c(C)cccc3n2)c1C.

What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?

The InChIKey is VRVTVMQGOGPOFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O2/c1-14-7-5-9-18(16(14)3)23-20(26)13-24(4)12-17-11-21(27)25-15(2)8-6-10-19(25)22-17/h5-11H,12-13H2,1-4H3,(H,23,26)/p+1.

What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?

[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 365.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 9255085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).