acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C69H69BBr4N28O5 — CID 163904717

About acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 163904717) has the molecular formula C69H69BBr4N28O5 and a molecular weight of 1700.93 g/mol. Its IUPAC name is acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 163904717
• Molecular Formula: C69H69BBr4N28O5
• Molecular Weight: 1700.93 g/mol
• Exact Mass: 1696.28
• IUPAC Name: acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc2nc[nH]c2c1.Cc1nc2ncc(Br)nc2n1-c1ccc2nc[nH]c2c1.Nc1ccc2nc[nH]c2c1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc2nc[nH]c2c1
• InChI: InChI=1S/C18H14N8.C13H9BrN6.C11H17BN2O2.C11H9BrN6.C7H7N3.C4H3Br2N3.C4H6O3.CH4/c1-10-24-17-18(25-15(8-21-17)11-4-5-20-16(19)6-11)26(10)12-2-3-13-14(7-12)23-9-22-13;1-7-18-12-13(19-11(14)5-15-12)20(7)8-2-3-9-10(4-8)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-4-14-10(13)11(18-9)17-6-1-2-7-8(3-6)16-5-15-7;8-5-1-2-6-7(3-5)10-4-9-6;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;/h2-9H,1H3,(H2,19,20)(H,22,23);2-6H,1H3,(H,16,17);5-7H,1-4H3,(H2,13,14);1-5H,(H2,13,14)(H,15,16)(H,17,18);1-4H,8H2,(H,9,10);1H,(H2,7,8);1-2H3;1H4
• InChIKey: QMYDABPAKLPNSL-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 483.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 6
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.93
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 163904717) is acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is C.CC(=O)OC(C)=O.CC1(C)OB(c2ccnc(N)c2)OC1(C)C.Cc1nc2ncc(-c3ccnc(N)c3)nc2n1-c1ccc2nc[nH]c2c1.Cc1nc2ncc(Br)nc2n1-c1ccc2nc[nH]c2c1.Nc1ccc2nc[nH]c2c1.Nc1ncc(Br)nc1Br.Nc1ncc(Br)nc1Nc1ccc2nc[nH]c2c1.

What is the InChIKey of acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is QMYDABPAKLPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8.C13H9BrN6.C11H17BN2O2.C11H9BrN6.C7H7N3.C4H3Br2N3.C4H6O3.CH4/c1-10-24-17-18(25-15(8-21-17)11-4-5-20-16(19)6-11)26(10)12-2-3-13-14(7-12)23-9-22-13;1-7-18-12-13(19-11(14)5-15-12)20(7)8-2-3-9-10(4-8)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;12-9-4-14-10(13)11(18-9)17-6-1-2-7-8(3-6)16-5-15-7;8-5-1-2-6-7(3-5)10-4-9-6;5-2-1-8-4(7)3(6)9-2;1-3(5)7-4(2)6;/h2-9H,1H3,(H2,19,20)(H,22,23);2-6H,1H3,(H,16,17);5-7H,1-4H3,(H2,13,14);1-5H,(H2,13,14)(H,15,16)(H,17,18);1-4H,8H2,(H,9,10);1H,(H2,7,8);1-2H3;1H4.

What are the key properties of acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1700.93 g/mol, XLogP of 12.27, 6 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;3H-benzimidazol-5-amine;3-(3H-benzimidazol-5-yl)-5-bromo-2-methylimidazo[4,5-b]pyrazine;3-N-(3H-benzimidazol-5-yl)-5-bromopyrazine-2,3-diamine;4-[3-(3H-benzimidazol-5-yl)-2-methylimidazo[4,5-b]pyrazin-5-yl]pyridin-2-amine;3,5-dibromopyrazin-2-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 163904717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).