6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C53H51Br4Cl4N19O12 — CID 159307205

IUPAC6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)CCl.CC(=O)Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1.Cn1c2c(c(=O)[nH]c1=O)CC=N2.Nc1cccc(Br)n1.O=C(CCl)Nc1cccc(Br)n1.O=C(Cl)CCl
InChIInChI=1S/C16H15BrN6O4.C13H11BrN6O3.C7H6BrClN2O.C7H7N3O2.C5H5BrN2.C3H5ClO.C2H2Cl2O/c1-9(24)6-23-15(26)13-14(21(2)16(23)27)18-8-22(13)7-12(25)20-11-5-3-4-10(17)19-11;1-19-11-10(12(22)18-13(19)23)20(6-15-11)5-9(21)17-8-4-2-3-7(14)16-8;8-5-2-1-3-6(10-5)11-7(12)4-9;1-10-5-4(2-3-8-5)6(11)9-7(10)12;6-4-2-1-3-5(7)8-4;1-3(5)2-4;3-1-2(4)5/h3-5,8H,6-7H2,1-2H3,(H,19,20,25);2-4,6H,5H2,1H3,(H,16,17,21)(H,18,22,23);1-3H,4H2,(H,10,11,12);3H,2H2,1H3,(H,9,11,12);1-3H,(H2,7,8);2H2,1H3;1H2
InChIKeyLCBKLNMEUONBDL-UHFFFAOYSA-N
MW1607.54 g/mol
LogP5.09
Rot. Bonds12

About 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 159307205) has the molecular formula C53H51Br4Cl4N19O12 and a molecular weight of 1607.54 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID159307205
Molecular FormulaC53H51Br4Cl4N19O12
Molecular Weight1607.54 g/mol
Exact Mass1600.95
IUPAC Name6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)CCl.CC(=O)Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1.Cn1c2c(c(=O)[nH]c1=O)CC=N2.Nc1cccc(Br)n1.O=C(CCl)Nc1cccc(Br)n1.O=C(Cl)CCl
InChIInChI=1S/C16H15BrN6O4.C13H11BrN6O3.C7H6BrClN2O.C7H7N3O2.C5H5BrN2.C3H5ClO.C2H2Cl2O/c1-9(24)6-23-15(26)13-14(21(2)16(23)27)18-8-22(13)7-12(25)20-11-5-3-4-10(17)19-11;1-19-11-10(12(22)18-13(19)23)20(6-15-11)5-9(21)17-8-4-2-3-7(14)16-8;8-5-2-1-3-6(10-5)11-7(12)4-9;1-10-5-4(2-3-8-5)6(11)9-7(10)12;6-4-2-1-3-5(7)8-4;1-3(5)2-4;3-1-2(4)5/h3-5,8H,6-7H2,1-2H3,(H,19,20,25);2-4,6H,5H2,1H3,(H,16,17,21)(H,18,22,23);1-3H,4H2,(H,10,11,12);3H,2H2,1H3,(H,9,11,12);1-3H,(H2,7,8);2H2,1H3;1H2
InChIKeyLCBKLNMEUONBDL-UHFFFAOYSA-N
XLogP5.09
TPSA417.81 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001607.54
LogP ≤ 55.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-chloropropan-2-one;2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 157300840
1-chloropropan-2-one;2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]acetamide
CID 161472081
N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;1-chloropropan-2-one
CID 157229665
N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3,8-dimethyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;1,6-dimethyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;molecular hydrogen
CID 158391033
1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;methane
CID 158609748
2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide
CID 159832316
N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxopurin-7-yl]acetamide;1-chloropropan-2-one
CID 159905531
8-bromo-3-methyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-bromo-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-bromo-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;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;2-(chloromethoxy)ethyl-trimethylsilane;1,6-dimethyl-3-(2-oxopropyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;3,8-dimethyl-1-(2-oxopropyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;molecular hydrogen;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
CID 159929042
N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 160721169
2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;hydrobromide
CID 161077279
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

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 159307205) is 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is CC(=O)CCl.CC(=O)Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(Br)n2)n(C)c1=O.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1.Cn1c2c(c(=O)[nH]c1=O)CC=N2.Nc1cccc(Br)n1.O=C(CCl)Nc1cccc(Br)n1.O=C(Cl)CCl.
What is the InChIKey of 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LCBKLNMEUONBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O4.C13H11BrN6O3.C7H6BrClN2O.C7H7N3O2.C5H5BrN2.C3H5ClO.C2H2Cl2O/c1-9(24)6-23-15(26)13-14(21(2)16(23)27)18-8-22(13)7-12(25)20-11-5-3-4-10(17)19-11;1-19-11-10(12(22)18-13(19)23)20(6-15-11)5-9(21)17-8-4-2-3-7(14)16-8;8-5-2-1-3-6(10-5)11-7(12)4-9;1-10-5-4(2-3-8-5)6(11)9-7(10)12;6-4-2-1-3-5(7)8-4;1-3(5)2-4;3-1-2(4)5/h3-5,8H,6-7H2,1-2H3,(H,19,20,25);2-4,6H,5H2,1H3,(H,16,17,21)(H,18,22,23);1-3H,4H2,(H,10,11,12);3H,2H2,1H3,(H,9,11,12);1-3H,(H2,7,8);2H2,1H3;1H2.
What are the key properties of 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?
6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 1607.54 g/mol, XLogP of 5.09, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-chloroacetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]acetamide;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;2-chloroacetyl chloride;1-chloropropan-2-one;1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159307205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).