butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C23H26N5O2+ — CID 135729538

About butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135729538) has the molecular formula C23H26N5O2+ and a molecular weight of 404.49 g/mol. Its IUPAC name is butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• PubChem CID: 135729538
• Molecular Formula: C23H26N5O2+
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.21
• IUPAC Name: butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
• SMILES: CCCC[NH+](Cc1cc(=O)n2c(C)cccc2n1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C23H25N5O2/c1-3-4-12-27(15-20-25-19-10-6-5-9-18(19)23(30)26-20)14-17-13-22(29)28-16(2)8-7-11-21(28)24-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,25,26,30)/p+1
• InChIKey: GXWNFAMEWJREFB-UHFFFAOYSA-O
• XLogP: 1.62
• TPSA: 84.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135729538) is butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

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

The canonical SMILES for butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CCCC[NH+](Cc1cc(=O)n2c(C)cccc2n1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?

The InChIKey is GXWNFAMEWJREFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N5O2/c1-3-4-12-27(15-20-25-19-10-6-5-9-18(19)23(30)26-20)14-17-13-22(29)28-16(2)8-7-11-21(28)24-17/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,25,26,30)/p+1.

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

butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 404.49 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135729538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).