6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium

C151H162N24+6 — CID 159005863

About 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium

6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium (PubChem CID 159005863) has the molecular formula C151H162N24+6 and a molecular weight of 2313.12 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium.

Molecular Properties

• Compound Name: 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
• PubChem CID: 159005863
• Molecular Formula: C151H162N24+6
• Molecular Weight: 2313.12 g/mol
• Exact Mass: 2311.34
• IUPAC Name: 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
• SMILES: Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C(C)C)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C)cn4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C5CCCC5)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(CC(C)(C)C)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(CC(C)C)nc4)ccc3nc[n+]2C)c1
• InChI: InChI=1S/C27H29N4.C27H31N4.C26H29N4.C25H27N4.2C23H23N4/c1-17-11-18(2)19(3)23(12-17)26-24-13-21(9-10-25(24)30-16-31(26)4)22-14-28-27(29-15-22)20-7-5-6-8-20;1-17-10-18(2)19(3)22(11-17)26-23-12-20(8-9-24(23)30-16-31(26)7)21-14-28-25(29-15-21)13-27(4,5)6;1-16(2)9-25-27-13-21(14-28-25)20-7-8-24-23(12-20)26(30(6)15-29-24)22-11-17(3)10-18(4)19(22)5;1-15(2)25-26-12-20(13-27-25)19-7-8-23-22(11-19)24(29(6)14-28-23)21-10-16(3)9-17(4)18(21)5;1-14-8-15(2)16(3)20(9-14)23-21-10-18(19-11-24-17(4)25-12-19)6-7-22(21)26-13-27(23)5;1-14-8-15(2)17(4)19(9-14)23-20-10-18(22-12-24-16(3)11-25-22)6-7-21(20)26-13-27(23)5/h9-16,20H,5-8H2,1-4H3;8-12,14-16H,13H2,1-7H3;7-8,10-16H,9H2,1-6H3;7-15H,1-6H3;2*6-13H,1-5H3/q6*+1
• InChIKey: KHGGMBHMEWJUSW-UHFFFAOYSA-N
• XLogP: 30.84
• TPSA: 255.30 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.12
LogP ≤ 5	30.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

The IUPAC name of 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium (CID 159005863) is 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium.

What is the SMILES notation for 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

The canonical SMILES for 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium is Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C(C)C)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C)cn4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(C5CCCC5)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(CC(C)(C)C)nc4)ccc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cc(-c4cnc(CC(C)C)nc4)ccc3nc[n+]2C)c1.

What is the InChIKey of 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

The InChIKey is KHGGMBHMEWJUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N4.C27H31N4.C26H29N4.C25H27N4.2C23H23N4/c1-17-11-18(2)19(3)23(12-17)26-24-13-21(9-10-25(24)30-16-31(26)4)22-14-28-27(29-15-22)20-7-5-6-8-20;1-17-10-18(2)19(3)22(11-17)26-23-12-20(8-9-24(23)30-16-31(26)7)21-14-28-25(29-15-21)13-27(4,5)6;1-16(2)9-25-27-13-21(14-28-25)20-7-8-24-23(12-20)26(30(6)15-29-24)22-11-17(3)10-18(4)19(22)5;1-15(2)25-26-12-20(13-27-25)19-7-8-23-22(11-19)24(29(6)14-28-23)21-10-16(3)9-17(4)18(21)5;1-14-8-15(2)16(3)20(9-14)23-21-10-18(19-11-24-17(4)25-12-19)6-7-22(21)26-13-27(23)5;1-14-8-15(2)17(4)19(9-14)23-20-10-18(22-12-24-16(3)11-25-22)6-7-21(20)26-13-27(23)5/h9-16,20H,5-8H2,1-4H3;8-12,14-16H,13H2,1-7H3;7-8,10-16H,9H2,1-6H3;7-15H,1-6H3;2*6-13H,1-5H3/q6*+1.

What are the key properties of 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium has a molecular weight of 2313.12 g/mol, XLogP of 30.84, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopentylpyrimidin-5-yl)-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;6-[2-(2,2-dimethylpropyl)pyrimidin-5-yl]-3-methyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-[2-(2-methylpropyl)pyrimidin-5-yl]-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(5-methylpyrazin-2-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-methylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-6-(2-propan-2-ylpyrimidin-5-yl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium is sourced from PubChem (CID 159005863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).