7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline

C85H96F2N8S — CID 161389821

About 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline

7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline (PubChem CID 161389821) has the molecular formula C85H96F2N8S and a molecular weight of 1299.82 g/mol. Its IUPAC name is 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline.

Molecular Properties

• Compound Name: 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
• PubChem CID: 161389821
• Molecular Formula: C85H96F2N8S
• Molecular Weight: 1299.82 g/mol
• Exact Mass: 1298.74
• IUPAC Name: 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline
• SMILES: Cc1cc(-c2ncnc3cc(C4CCCC4)ccc23)cc(C)c1F.Cc1cc(-c2ncnc3cc(CC(C)(C)C)ccc23)cc(C)c1F.Cc1cc(C)cc(-c2ncnc3c(C(C)C)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3cc(CC(C)(C)C)ccc23)c1
• InChI: InChI=1S/C22H28N2S.C21H21FN2.C21H23FN2.C21H24N2/c1-13(2)18-17(11-22(5,6)7)25-21-19(23-12-24-20(18)21)16-9-14(3)8-15(4)10-16;1-13-9-17(10-14(2)20(13)22)21-18-8-7-16(15-5-3-4-6-15)11-19(18)23-12-24-21;1-13-8-16(9-14(2)19(13)22)20-17-7-6-15(11-21(3,4)5)10-18(17)23-12-24-20;1-14-8-15(2)10-17(9-14)20-18-7-6-16(12-21(3,4)5)11-19(18)22-13-23-20/h8-10,12-13H,11H2,1-7H3;7-12,15H,3-6H2,1-2H3;6-10,12H,11H2,1-5H3;6-11,13H,12H2,1-5H3
• InChIKey: VSVLTVOOLCTNHE-UHFFFAOYSA-N
• XLogP: 23.54
• TPSA: 103.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1299.82
LogP ≤ 5	23.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?

The IUPAC name of 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline (CID 161389821) is 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline.

What is the SMILES notation for 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?

The canonical SMILES for 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline is Cc1cc(-c2ncnc3cc(C4CCCC4)ccc23)cc(C)c1F.Cc1cc(-c2ncnc3cc(CC(C)(C)C)ccc23)cc(C)c1F.Cc1cc(C)cc(-c2ncnc3c(C(C)C)c(CC(C)(C)C)sc23)c1.Cc1cc(C)cc(-c2ncnc3cc(CC(C)(C)C)ccc23)c1.

What is the InChIKey of 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?

The InChIKey is VSVLTVOOLCTNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2S.C21H21FN2.C21H23FN2.C21H24N2/c1-13(2)18-17(11-22(5,6)7)25-21-19(23-12-24-20(18)21)16-9-14(3)8-15(4)10-16;1-13-9-17(10-14(2)20(13)22)21-18-8-7-16(15-5-3-4-6-15)11-19(18)23-12-24-21;1-13-8-16(9-14(2)19(13)22)20-17-7-6-15(11-21(3,4)5)10-18(17)23-12-24-20;1-14-8-15(2)10-17(9-14)20-18-7-6-16(12-21(3,4)5)11-19(18)22-13-23-20/h8-10,12-13H,11H2,1-7H3;7-12,15H,3-6H2,1-2H3;6-10,12H,11H2,1-5H3;6-11,13H,12H2,1-5H3.

What are the key properties of 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline?

7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline has a molecular weight of 1299.82 g/mol, XLogP of 23.54, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-4-(4-fluoro-3,5-dimethylphenyl)quinazoline;4-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-7-propan-2-ylthieno[3,2-d]pyrimidine;4-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)quinazoline;7-(2,2-dimethylpropyl)-4-(4-fluoro-3,5-dimethylphenyl)quinazoline is sourced from PubChem (CID 161389821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).