8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine

C70H84BrClF27IN14O10S5 — CID 159697218

About 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine

8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine (PubChem CID 159697218) has the molecular formula C70H84BrClF27IN14O10S5 and a molecular weight of 2197.07 g/mol. Its IUPAC name is 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine.

Molecular Properties

• Compound Name: 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine
• PubChem CID: 159697218
• Molecular Formula: C70H84BrClF27IN14O10S5
• Molecular Weight: 2197.07 g/mol
• Exact Mass: 2194.26
• IUPAC Name: 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine
• SMILES: COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1Br.COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1Cl.COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1F.COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1I.COc1cc2c(S(F)(F)(F)(F)F)nc(C(C)(C)C)nc2c(F)c1OC
• InChI: InChI=1S/C14H17BrF5N3O2S.C14H17ClF5N3O2S.C14H17F6N3O2S.C14H16F6N2O2S.C14H17F5IN3O2S/c3*1-14(2,3)13-22-8-6(12(21)23-13)11(26(16,17,18,19)20)10(25-5)9(24-4)7(8)15;1-14(2,3)13-21-10-7(12(22-13)25(16,17,18,19)20)6-8(23-4)11(24-5)9(10)15;1-14(2,3)13-22-8-6(12(21)23-13)11(26(15,16,17,18)19)10(25-5)9(24-4)7(8)20/h3*1-5H3,(H2,21,22,23);6H,1-5H3;1-5H3,(H2,21,22,23)
• InChIKey: MXDXIEWNHYWTEM-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 325.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.07
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine?

The IUPAC name of 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine (CID 159697218) is 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine.

What is the SMILES notation for 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine?

The canonical SMILES for 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine is COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1Br.COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1Cl.COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1F.COc1c(OC)c(S(F)(F)(F)(F)F)c2c(N)nc(C(C)(C)C)nc2c1I.COc1cc2c(S(F)(F)(F)(F)F)nc(C(C)(C)C)nc2c(F)c1OC.

What is the InChIKey of 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine?

The InChIKey is MXDXIEWNHYWTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF5N3O2S.C14H17ClF5N3O2S.C14H17F6N3O2S.C14H16F6N2O2S.C14H17F5IN3O2S/c3*1-14(2,3)13-22-8-6(12(21)23-13)11(26(16,17,18,19)20)10(25-5)9(24-4)7(8)15;1-14(2,3)13-21-10-7(12(22-13)25(16,17,18,19)20)6-8(23-4)11(24-5)9(10)15;1-14(2,3)13-22-8-6(12(21)23-13)11(26(15,16,17,18)19)10(25-5)9(24-4)7(8)20/h3*1-5H3,(H2,21,22,23);6H,1-5H3;1-5H3,(H2,21,22,23).

What are the key properties of 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine?

8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine has a molecular weight of 2197.07 g/mol, XLogP of 28.64, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-tert-butyl-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-chloro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;2-tert-butyl-8-fluoro-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine;(2-tert-butyl-8-fluoro-6,7-dimethoxyquinazolin-4-yl)-pentafluoro-λ6-sulfane;2-tert-butyl-8-iodo-6,7-dimethoxy-5-(pentafluoro-λ6-sulfanyl)quinazolin-4-amine is sourced from PubChem (CID 159697218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).