3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine

C153H236BrF3N44O2 — CID 159382320

About 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine

3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine (PubChem CID 159382320) has the molecular formula C153H236BrF3N44O2 and a molecular weight of 2860.77 g/mol. Its IUPAC name is 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine.

Molecular Properties

• Compound Name: 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine
• PubChem CID: 159382320
• Molecular Formula: C153H236BrF3N44O2
• Molecular Weight: 2860.77 g/mol
• Exact Mass: 2857.89
• IUPAC Name: 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine
• SMILES: CC(C)(C)Oc1cc(N)ccn1.CC(C)(C)n1cc(Br)c2c(N)ccnc21.CC(C)(C)n1cc(F)c2cccnc21.CC(C)(C)n1ccc2cccnc21.CN(c1cc(N)ccn1)C(C)(C)C.CN(c1nccc(N)n1)C(C)(C)C.Cc1cc(N(C)C(C)(C)C)nc(C)n1.Cc1cc(N(C)C(C)(C)C)ncn1.Cc1ccnc(OC(C)(C)C)c1.Cc1nc(N)c2c(F)cn(C(C)(C)C)c2n1.Cc1nc(N)cc(N(C)C(C)(C)C)n1.Cc1ncc2c(F)cn(C(C)(C)C)c2n1.Cc1nccc(N(C)C(C)(C)C)n1.Cc1nccc(N(C)C(C)(C)C)n1.Cc1ncnc(N(C)C(C)(C)C)n1
• InChI: InChI=1S/C11H14BrN3.C11H15FN4.C11H14FN3.C11H13FN2.C11H19N3.C11H14N2.C10H18N4.4C10H17N3.C10H15NO.2C9H16N4.C9H14N2O/c1-11(2,3)15-6-7(12)9-8(13)4-5-14-10(9)15;1-6-14-9(13)8-7(12)5-16(10(8)15-6)11(2,3)4;1-7-13-5-8-9(12)6-15(10(8)14-7)11(2,3)4;1-11(2,3)14-7-9(12)8-5-4-6-13-10(8)14;1-8-7-10(13-9(2)12-8)14(6)11(3,4)5;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-7-12-8(11)6-9(13-7)14(5)10(2,3)4;1-8-6-9(12-7-11-8)13(5)10(2,3)4;2*1-8-11-7-6-9(12-8)13(5)10(2,3)4;1-10(2,3)13(4)9-7-8(11)5-6-12-9;1-8-5-6-11-9(7-8)12-10(2,3)4;1-7-10-6-11-8(12-7)13(5)9(2,3)4;1-9(2,3)13(4)8-11-6-5-7(10)12-8;1-9(2,3)12-8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H2,13,14);5H,1-4H3,(H2,13,14,15);5-6H,1-4H3;4-7H,1-3H3;7H,1-6H3;4-8H,1-3H3;6H,1-5H3,(H2,11,12,13);3*6-7H,1-5H3;5-7H,1-4H3,(H2,11,12);5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3,(H2,10,11,12);4-6H,1-3H3,(H2,10,11)
• InChIKey: LLBLQEFROQHXGH-UHFFFAOYSA-N
• XLogP: 32.71
• TPSA: 547.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 10
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2860.77
LogP ≤ 5	32.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?

The IUPAC name of 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine (CID 159382320) is 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine.

What is the SMILES notation for 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?

The canonical SMILES for 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine is CC(C)(C)Oc1cc(N)ccn1.CC(C)(C)n1cc(Br)c2c(N)ccnc21.CC(C)(C)n1cc(F)c2cccnc21.CC(C)(C)n1ccc2cccnc21.CN(c1cc(N)ccn1)C(C)(C)C.CN(c1nccc(N)n1)C(C)(C)C.Cc1cc(N(C)C(C)(C)C)nc(C)n1.Cc1cc(N(C)C(C)(C)C)ncn1.Cc1ccnc(OC(C)(C)C)c1.Cc1nc(N)c2c(F)cn(C(C)(C)C)c2n1.Cc1nc(N)cc(N(C)C(C)(C)C)n1.Cc1ncc2c(F)cn(C(C)(C)C)c2n1.Cc1nccc(N(C)C(C)(C)C)n1.Cc1nccc(N(C)C(C)(C)C)n1.Cc1ncnc(N(C)C(C)(C)C)n1.

What is the InChIKey of 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?

The InChIKey is LLBLQEFROQHXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3.C11H15FN4.C11H14FN3.C11H13FN2.C11H19N3.C11H14N2.C10H18N4.4C10H17N3.C10H15NO.2C9H16N4.C9H14N2O/c1-11(2,3)15-6-7(12)9-8(13)4-5-14-10(9)15;1-6-14-9(13)8-7(12)5-16(10(8)15-6)11(2,3)4;1-7-13-5-8-9(12)6-15(10(8)14-7)11(2,3)4;1-11(2,3)14-7-9(12)8-5-4-6-13-10(8)14;1-8-7-10(13-9(2)12-8)14(6)11(3,4)5;1-11(2,3)13-8-6-9-5-4-7-12-10(9)13;1-7-12-8(11)6-9(13-7)14(5)10(2,3)4;1-8-6-9(12-7-11-8)13(5)10(2,3)4;2*1-8-11-7-6-9(12-8)13(5)10(2,3)4;1-10(2,3)13(4)9-7-8(11)5-6-12-9;1-8-5-6-11-9(7-8)12-10(2,3)4;1-7-10-6-11-8(12-7)13(5)9(2,3)4;1-9(2,3)13(4)8-11-6-5-7(10)12-8;1-9(2,3)12-8-6-7(10)4-5-11-8/h4-6H,1-3H3,(H2,13,14);5H,1-4H3,(H2,13,14,15);5-6H,1-4H3;4-7H,1-3H3;7H,1-6H3;4-8H,1-3H3;6H,1-5H3,(H2,11,12,13);3*6-7H,1-5H3;5-7H,1-4H3,(H2,11,12);5-7H,1-4H3;6H,1-5H3;5-6H,1-4H3,(H2,10,11,12);4-6H,1-3H3,(H2,10,11).

What are the key properties of 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine?

3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine has a molecular weight of 2860.77 g/mol, XLogP of 32.71, 10 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-tert-butylpyrrolo[2,3-b]pyridin-4-amine;bis(N-tert-butyl-N,2-dimethylpyrimidin-4-amine);N-tert-butyl-N,6-dimethylpyrimidin-4-amine;4-N-tert-butyl-4-N,2-dimethylpyrimidine-4,6-diamine;N-tert-butyl-N,4-dimethyl-1,3,5-triazin-2-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;7-tert-butyl-5-fluoro-2-methylpyrrolo[2,3-d]pyrimidine;1-tert-butyl-3-fluoropyrrolo[2,3-b]pyridine;2-N-tert-butyl-2-N-methylpyridine-2,4-diamine;2-N-tert-butyl-2-N-methylpyrimidine-2,4-diamine;1-tert-butylpyrrolo[2,3-b]pyridine;N-tert-butyl-N,2,6-trimethylpyrimidin-4-amine;4-methyl-2-[(2-methylpropan-2-yl)oxy]pyridine;2-[(2-methylpropan-2-yl)oxy]pyridin-4-amine is sourced from PubChem (CID 159382320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).