N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen

C35H38Br2ClN11O8 — CID 161215361

About N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen

N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen (PubChem CID 161215361) has the molecular formula C35H38Br2ClN11O8 and a molecular weight of 936.02 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen.

Molecular Properties

• Compound Name: N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen
• PubChem CID: 161215361
• Molecular Formula: C35H38Br2ClN11O8
• Molecular Weight: 936.02 g/mol
• Exact Mass: 933.10
• IUPAC Name: N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen
• SMILES: CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(C)C2.CC(=O)Cn1c(=O)c2c(nc(C)n2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.O=C(CCl)Nc1cccc(Br)n1.[H][H]
• InChI: InChI=1S/C17H17BrN6O4.C11H13N3O3.C7H6BrClN2O.H2/c1-9(25)7-24-16(27)14-15(22(3)17(24)28)19-10(2)23(14)8-13(26)21-12-6-4-5-11(18)20-12;1-6-4-8-9(12-6)13(3)11(17)14(10(8)16)5-7(2)15;8-5-2-1-3-6(10-5)11-7(12)4-9;/h4-6H,7-8H2,1-3H3,(H,20,21,26);4-5H2,1-3H3;1-3H,4H2,(H,10,11,12);1H
• InChIKey: UWUBLFIWXBGGQH-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 236.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.02
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen?

The IUPAC name of N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen (CID 161215361) is N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen.

What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen?

The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen is CC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(C)C2.CC(=O)Cn1c(=O)c2c(nc(C)n2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.O=C(CCl)Nc1cccc(Br)n1.[H][H].

What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen?

The InChIKey is UWUBLFIWXBGGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O4.C11H13N3O3.C7H6BrClN2O.H2/c1-9(25)7-24-16(27)14-15(22(3)17(24)28)19-10(2)23(14)8-13(26)21-12-6-4-5-11(18)20-12;1-6-4-8-9(12-6)13(3)11(17)14(10(8)16)5-7(2)15;8-5-2-1-3-6(10-5)11-7(12)4-9;/h4-6H,7-8H2,1-3H3,(H,20,21,26);4-5H2,1-3H3;1-3H,4H2,(H,10,11,12);1H.

What are the key properties of N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen?

N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen has a molecular weight of 936.02 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 161215361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).