3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate

C103H115Br2N25O14 — CID 159299208

About 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate

3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate (PubChem CID 159299208) has the molecular formula C103H115Br2N25O14 and a molecular weight of 2087.02 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate
• PubChem CID: 159299208
• Molecular Formula: C103H115Br2N25O14
• Molecular Weight: 2087.02 g/mol
• Exact Mass: 2083.74
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate
• SMILES: C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C.COC(=O)c1nccnc1N.Nc1ncc(Br)nc1-c1nc2ccccc2[nH]1.Nc1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1
• InChI: InChI=1S/C37H44N6O6.C26H32BrN5O6.C22H20N6.C11H8BrN5.C6H7N3O2.CH4/c1-35(2,3)47-32(44)42-28-18-14-13-17-26(28)40-31(42)29-30(43(33(45)48-36(4,5)6)34(46)49-37(7,8)9)38-23-27(39-29)24-19-21-41(22-20-24)25-15-11-10-12-16-25;1-24(2,3)36-21(33)31-16-13-11-10-12-15(16)29-20(31)18-19(28-14-17(27)30-18)32(22(34)37-25(4,5)6)23(35)38-26(7,8)9;23-21-20(22-26-17-8-4-5-9-18(17)27-22)25-19(14-24-21)15-10-12-28(13-11-15)16-6-2-1-3-7-16;12-8-5-14-10(13)9(17-8)11-15-6-3-1-2-4-7(6)16-11;1-11-6(10)4-5(7)9-3-2-8-4;/h10-19,23H,20-22H2,1-9H3;10-14H,1-9H3;1-10,14H,11-13H2,(H2,23,24)(H,26,27);1-5H,(H2,13,14)(H,15,16);2-3H,1H3,(H2,7,9);1H4
• InChIKey: LBCOLJBYBFOFHR-UHFFFAOYSA-N
• XLogP: 21.70
• TPSA: 497.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2087.02
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate (CID 159299208) is 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate is C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(Br)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2n1C(=O)OC(C)(C)C.COC(=O)c1nccnc1N.Nc1ncc(Br)nc1-c1nc2ccccc2[nH]1.Nc1ncc(C2=CCN(c3ccccc3)CC2)nc1-c1nc2ccccc2[nH]1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate?

The InChIKey is LBCOLJBYBFOFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N6O6.C26H32BrN5O6.C22H20N6.C11H8BrN5.C6H7N3O2.CH4/c1-35(2,3)47-32(44)42-28-18-14-13-17-26(28)40-31(42)29-30(43(33(45)48-36(4,5)6)34(46)49-37(7,8)9)38-23-27(39-29)24-19-21-41(22-20-24)25-15-11-10-12-16-25;1-24(2,3)36-21(33)31-16-13-11-10-12-15(16)29-20(31)18-19(28-14-17(27)30-18)32(22(34)37-25(4,5)6)23(35)38-26(7,8)9;23-21-20(22-26-17-8-4-5-9-18(17)27-22)25-19(14-24-21)15-10-12-28(13-11-15)16-6-2-1-3-7-16;12-8-5-14-10(13)9(17-8)11-15-6-3-1-2-4-7(6)16-11;1-11-6(10)4-5(7)9-3-2-8-4;/h10-19,23H,20-22H2,1-9H3;10-14H,1-9H3;1-10,14H,11-13H2,(H2,23,24)(H,26,27);1-5H,(H2,13,14)(H,15,16);2-3H,1H3,(H2,7,9);1H4.

What are the key properties of 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate?

3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate has a molecular weight of 2087.02 g/mol, XLogP of 21.70, 11 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-5-bromopyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-amine;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]benzimidazole-1-carboxylate;tert-butyl 2-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(1-phenyl-3,6-dihydro-2H-pyridin-4-yl)pyrazin-2-yl]benzimidazole-1-carboxylate;methane;methyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 159299208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).