5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine

C55H73BrClN15O — CID 163781029

About 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine

5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 163781029) has the molecular formula C55H73BrClN15O and a molecular weight of 1075.65 g/mol. Its IUPAC name is 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine
• PubChem CID: 163781029
• Molecular Formula: C55H73BrClN15O
• Molecular Weight: 1075.65 g/mol
• Exact Mass: 1073.50
• IUPAC Name: 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine
• SMILES: CC(C)(C)n1ccc2c(Cl)ccnc21.CC(C)(C)n1ccc2c(N)ccnc21.CNc1ncnc2c1ccn2C(C)(C)C.COc1ncnc2c1ccn2C(C)(C)C.Cc1ncnc2c1c(Br)cn2C(C)(C)C
• InChI: InChI=1S/C11H14BrN3.C11H13ClN2.C11H16N4.C11H15N3O.C11H15N3/c1-7-9-8(12)5-15(11(2,3)4)10(9)14-6-13-7;1-11(2,3)14-7-5-8-9(12)4-6-13-10(8)14;1-11(2,3)15-6-5-8-9(12-4)13-7-14-10(8)15;1-11(2,3)14-6-5-8-9(14)12-7-13-10(8)15-4;1-11(2,3)14-7-5-8-9(12)4-6-13-10(8)14/h5-6H,1-4H3;4-7H,1-3H3;5-7H,1-4H3,(H,12,13,14);5-7H,1-4H3;4-7H,1-3H3,(H2,12,13)
• InChIKey: MOPFXWSCDRYDFN-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 175.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 2
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1075.65
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine?

The IUPAC name of 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine (CID 163781029) is 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine.

What is the SMILES notation for 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine?

The canonical SMILES for 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine is CC(C)(C)n1ccc2c(Cl)ccnc21.CC(C)(C)n1ccc2c(N)ccnc21.CNc1ncnc2c1ccn2C(C)(C)C.COc1ncnc2c1ccn2C(C)(C)C.Cc1ncnc2c1c(Br)cn2C(C)(C)C.

What is the InChIKey of 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine?

The InChIKey is MOPFXWSCDRYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3.C11H13ClN2.C11H16N4.C11H15N3O.C11H15N3/c1-7-9-8(12)5-15(11(2,3)4)10(9)14-6-13-7;1-11(2,3)14-7-5-8-9(12)4-6-13-10(8)14;1-11(2,3)15-6-5-8-9(12-4)13-7-14-10(8)15;1-11(2,3)14-6-5-8-9(14)12-7-13-10(8)15-4;1-11(2,3)14-7-5-8-9(12)4-6-13-10(8)14/h5-6H,1-4H3;4-7H,1-3H3;5-7H,1-4H3,(H,12,13,14);5-7H,1-4H3;4-7H,1-3H3,(H2,12,13).

What are the key properties of 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine?

5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 1075.65 g/mol, XLogP of 13.50, 2 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-7-tert-butyl-4-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-4-chloropyrrolo[2,3-b]pyridine;7-tert-butyl-4-methoxypyrrolo[2,3-d]pyrimidine;7-tert-butyl-N-methylpyrrolo[2,3-d]pyrimidin-4-amine;1-tert-butylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 163781029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).