5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate

C61H69Br2N19O10S — CID 159596796

About 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate

5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate (PubChem CID 159596796) has the molecular formula C61H69Br2N19O10S and a molecular weight of 1420.22 g/mol. Its IUPAC name is 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
• PubChem CID: 159596796
• Molecular Formula: C61H69Br2N19O10S
• Molecular Weight: 1420.22 g/mol
• Exact Mass: 1417.36
• IUPAC Name: 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate
• SMILES: COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2c1.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(N4CCS(=O)(=O)CC4)cnc3N)[nH]c2c1
• InChI: InChI=1S/C27H34BrN5O6.C16H18N6O2S.C12H10BrN5.C6H7N3O2/c1-15-11-12-16-17(13-15)32(22(34)37-25(2,3)4)21(30-16)19-20(29-14-18(28)31-19)33(23(35)38-26(5,6)7)24(36)39-27(8,9)10;1-10-2-3-11-12(8-10)20-16(19-11)14-15(17)18-9-13(21-14)22-4-6-25(23,24)7-5-22;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h11-14H,1-10H3;2-3,8-9H,4-7H2,1H3,(H2,17,18)(H,19,20);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9)
• InChIKey: MKYKIVMYBCMVQO-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 402.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 6
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.22
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?

The IUPAC name of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate (CID 159596796) is 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate.

What is the SMILES notation for 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?

The canonical SMILES for 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate is COC(=O)c1nccnc1N.Cc1ccc2nc(-c3nc(Br)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n(C(=O)OC(C)(C)C)c2c1.Cc1ccc2nc(-c3nc(Br)cnc3N)[nH]c2c1.Cc1ccc2nc(-c3nc(N4CCS(=O)(=O)CC4)cnc3N)[nH]c2c1.

What is the InChIKey of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?

The InChIKey is MKYKIVMYBCMVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34BrN5O6.C16H18N6O2S.C12H10BrN5.C6H7N3O2/c1-15-11-12-16-17(13-15)32(22(34)37-25(2,3)4)21(30-16)19-20(29-14-18(28)31-19)33(23(35)38-26(5,6)7)24(36)39-27(8,9)10;1-10-2-3-11-12(8-10)20-16(19-11)14-15(17)18-9-13(21-14)22-4-6-25(23,24)7-5-22;1-6-2-3-7-8(4-6)17-12(16-7)10-11(14)15-5-9(13)18-10;1-11-6(10)4-5(7)9-3-2-8-4/h11-14H,1-10H3;2-3,8-9H,4-7H2,1H3,(H2,17,18)(H,19,20);2-5H,1H3,(H2,14,15)(H,16,17);2-3H,1H3,(H2,7,9).

What are the key properties of 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate?

5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 1420.22 g/mol, XLogP of 10.69, 6 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-6-methylbenzimidazole-1-carboxylate;5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-amine;methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 159596796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).