3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium

C86H92N15+5 — CID 158490309

About 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium

3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium (PubChem CID 158490309) has the molecular formula C86H92N15+5 and a molecular weight of 1335.79 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium.

Molecular Properties

• Compound Name: 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium
• PubChem CID: 158490309
• Molecular Formula: C86H92N15+5
• Molecular Weight: 1335.79 g/mol
• Exact Mass: 1334.76
• IUPAC Name: 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium
• SMILES: Cc1ccccc1-c1nc2ccncc2c[n+]1C.Cc1ccccc1-c1nc2cncc(C(C)C)c2c[n+]1C.Cc1ccccc1-c1nc2cncc(CC(C)C)c2c[n+]1C.Cc1ccccc1-c1nc2cnccc2c[n+]1C.Cc1ccccc1-c1nc2nccc(CC(C)C)c2c[n+]1C
• InChI: InChI=1S/2C19H22N3.C18H20N3.2C15H14N3/c1-13(2)9-15-10-20-11-18-17(15)12-22(4)19(21-18)16-8-6-5-7-14(16)3;1-13(2)11-15-9-10-20-18-17(15)12-22(4)19(21-18)16-8-6-5-7-14(16)3;1-12(2)15-9-19-10-17-16(15)11-21(4)18(20-17)14-8-6-5-7-13(14)3;1-11-5-3-4-6-13(11)15-17-14-7-8-16-9-12(14)10-18(15)2;1-11-5-3-4-6-13(11)15-17-14-9-16-8-7-12(14)10-18(15)2/h5-8,10-13H,9H2,1-4H3;5-10,12-13H,11H2,1-4H3;5-12H,1-4H3;2*3-10H,1-2H3/q5*+1
• InChIKey: ZPWCASUWYALUOO-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 148.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.79
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium?

The IUPAC name of 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium (CID 158490309) is 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium.

What is the SMILES notation for 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium?

The canonical SMILES for 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium is Cc1ccccc1-c1nc2ccncc2c[n+]1C.Cc1ccccc1-c1nc2cncc(C(C)C)c2c[n+]1C.Cc1ccccc1-c1nc2cncc(CC(C)C)c2c[n+]1C.Cc1ccccc1-c1nc2cnccc2c[n+]1C.Cc1ccccc1-c1nc2nccc(CC(C)C)c2c[n+]1C.

What is the InChIKey of 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium?

The InChIKey is ZPWCASUWYALUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N3.C18H20N3.2C15H14N3/c1-13(2)9-15-10-20-11-18-17(15)12-22(4)19(21-18)16-8-6-5-7-14(16)3;1-13(2)11-15-9-10-20-18-17(15)12-22(4)19(21-18)16-8-6-5-7-14(16)3;1-12(2)15-9-19-10-17-16(15)11-21(4)18(20-17)14-8-6-5-7-13(14)3;1-11-5-3-4-6-13(11)15-17-14-7-8-16-9-12(14)10-18(15)2;1-11-5-3-4-6-13(11)15-17-14-9-16-8-7-12(14)10-18(15)2/h5-8,10-13H,9H2,1-4H3;5-10,12-13H,11H2,1-4H3;5-12H,1-4H3;2*3-10H,1-2H3/q5*+1.

What are the key properties of 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium?

3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium has a molecular weight of 1335.79 g/mol, XLogP of 15.67, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium is sourced from PubChem (CID 158490309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).