bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane

C105H118Br2Cl8N24 — CID 159363848

About bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane

bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane (PubChem CID 159363848) has the molecular formula C105H118Br2Cl8N24 and a molecular weight of 2159.70 g/mol. Its IUPAC name is bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane.

Molecular Properties

• Compound Name: bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane
• PubChem CID: 159363848
• Molecular Formula: C105H118Br2Cl8N24
• Molecular Weight: 2159.70 g/mol
• Exact Mass: 2152.58
• IUPAC Name: bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane
• SMILES: C.Cc1ccc(Br)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(Br)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(C)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(C)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(Cl)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(Cl)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1
• InChI: InChI=1S/2C18H21ClN4.2C17H18BrClN4.2C17H18Cl2N4.CH4/c2*1-10-6-7-11(2)12(8-10)13-14-16(20)21-9-22-17(14)23(15(13)19)18(3,4)5;4*1-9-5-6-11(18)10(7-9)12-13-15(20)21-8-22-16(13)23(14(12)19)17(2,3)4;/h2*6-9H,1-5H3,(H2,20,21,22);4*5-8H,1-4H3,(H2,20,21,22);1H4
• InChIKey: LIWKLVUOENZADT-UHFFFAOYSA-N
• XLogP: 30.47
• TPSA: 340.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.70
LogP ≤ 5	30.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane?

The IUPAC name of bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane (CID 159363848) is bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane.

What is the SMILES notation for bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane?

The canonical SMILES for bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane is C.Cc1ccc(Br)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(Br)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(C)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(C)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(Cl)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.Cc1ccc(Cl)c(-c2c(Cl)n(C(C)(C)C)c3ncnc(N)c23)c1.

What is the InChIKey of bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane?

The InChIKey is LIWKLVUOENZADT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21ClN4.2C17H18BrClN4.2C17H18Cl2N4.CH4/c2*1-10-6-7-11(2)12(8-10)13-14-16(20)21-9-22-17(14)23(15(13)19)18(3,4)5;4*1-9-5-6-11(18)10(7-9)12-13-15(20)21-8-22-16(13)23(14(12)19)17(2,3)4;/h2*6-9H,1-5H3,(H2,20,21,22);4*5-8H,1-4H3,(H2,20,21,22);1H4.

What are the key properties of bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane?

bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane has a molecular weight of 2159.70 g/mol, XLogP of 30.47, 6 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(2-bromo-5-methylphenyl)-7-tert-butyl-6-chloropyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2-chloro-5-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);bis(7-tert-butyl-6-chloro-5-(2,5-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine);methane is sourced from PubChem (CID 159363848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).