5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

C84H104BrF4N19O4 — CID 159475119

About 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159475119) has the molecular formula C84H104BrF4N19O4 and a molecular weight of 1599.78 g/mol. Its IUPAC name is 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 159475119
• Molecular Formula: C84H104BrF4N19O4
• Molecular Weight: 1599.78 g/mol
• Exact Mass: 1597.76
• IUPAC Name: 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1nc(N)ccc1Br.Cc1nc(N)ccc1CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CC1CCNCC1
• InChI: InChI=1S/C33H39F2N7O2.C28H31F2N7.C17H27N3O2.C6H7BrN2/c1-19-21(15-20-10-13-41(14-11-20)31(43)44-32(2,3)4)7-8-26(37-19)38-30-36-18-24(35)28(40-30)22-16-23(34)29-25(17-22)42-27(39-29)9-12-33(42,5)6;1-16-18(12-17-7-10-31-11-8-17)4-5-23(33-16)34-27-32-15-21(30)25(36-27)19-13-20(29)26-22(14-19)37-24(35-26)6-9-28(37,2)3;1-12-14(5-6-15(18)19-12)11-13-7-9-20(10-8-13)16(21)22-17(2,3)4;1-4-5(7)2-3-6(8)9-4/h7-8,16-18,20H,9-15H2,1-6H3,(H,36,37,38,40);4-5,13-15,17,31H,6-12H2,1-3H3,(H,32,33,34,36);5-6,13H,7-11H2,1-4H3,(H2,18,19);2-3H,1H3,(H2,8,9)
• InChIKey: LWHACPOESIWPSH-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 285.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1599.78
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (CID 159475119) is 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is Cc1nc(N)ccc1Br.Cc1nc(N)ccc1CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(Nc2ncc(F)c(-c3cc(F)c4nc5n(c4c3)C(C)(C)CC5)n2)ccc1CC1CCNCC1.

What is the InChIKey of 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is LWHACPOESIWPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F2N7O2.C28H31F2N7.C17H27N3O2.C6H7BrN2/c1-19-21(15-20-10-13-41(14-11-20)31(43)44-32(2,3)4)7-8-26(37-19)38-30-36-18-24(35)28(40-30)22-16-23(34)29-25(17-22)42-27(39-29)9-12-33(42,5)6;1-16-18(12-17-7-10-31-11-8-17)4-5-23(33-16)34-27-32-15-21(30)25(36-27)19-13-20(29)26-22(14-19)37-24(35-26)6-9-28(37,2)3;1-12-14(5-6-15(18)19-12)11-13-7-9-20(10-8-13)16(21)22-17(2,3)4;1-4-5(7)2-3-6(8)9-4/h7-8,16-18,20H,9-15H2,1-6H3,(H,36,37,38,40);4-5,13-15,17,31H,6-12H2,1-3H3,(H,32,33,34,36);5-6,13H,7-11H2,1-4H3,(H2,18,19);2-3H,1H3,(H2,8,9).

What are the key properties of 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 1599.78 g/mol, XLogP of 17.43, 12 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methylpyridin-2-amine;tert-butyl 4-[(6-amino-2-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-[[5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]methyl]piperidine-1-carboxylate;5-fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazol-7-yl)-N-[6-methyl-5-(piperidin-4-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159475119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).