ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine

C36H29Br2ClF2N8O6 — CID 157079917

IUPACethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine
SMILESCCOC(=O)c1cn2c(Cl)ncc(Br)c2n1.CCOC(=O)c1cn2c(NCc3c(F)ccc4occc34)ncc(Br)c2n1.NCc1c(F)ccc2occc12
InChIInChI=1S/C18H14BrFN4O3.C9H7BrClN3O2.C9H8FNO/c1-2-26-17(25)14-9-24-16(23-14)12(19)8-22-18(24)21-7-11-10-5-6-27-15(10)4-3-13(11)20;1-2-16-8(15)6-4-14-7(13-6)5(10)3-12-9(14)11;10-8-1-2-9-6(3-4-12-9)7(8)5-11/h3-6,8-9H,2,7H2,1H3,(H,21,22);3-4H,2H2,1H3;1-4H,5,11H2
InChIKeyADKNDURXVOPDSH-UHFFFAOYSA-N
MW902.93 g/mol
LogP8.52
Rot. Bonds8

About ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine

ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine (PubChem CID 157079917) has the molecular formula C36H29Br2ClF2N8O6 and a molecular weight of 902.93 g/mol. Its IUPAC name is ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine.

Molecular Properties

Compound Nameethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine
PubChem CID157079917
Molecular FormulaC36H29Br2ClF2N8O6
Molecular Weight902.93 g/mol
Exact Mass900.02
IUPAC Nameethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine
SMILESCCOC(=O)c1cn2c(Cl)ncc(Br)c2n1.CCOC(=O)c1cn2c(NCc3c(F)ccc4occc34)ncc(Br)c2n1.NCc1c(F)ccc2occc12
InChIInChI=1S/C18H14BrFN4O3.C9H7BrClN3O2.C9H8FNO/c1-2-26-17(25)14-9-24-16(23-14)12(19)8-22-18(24)21-7-11-10-5-6-27-15(10)4-3-13(11)20;1-2-16-8(15)6-4-14-7(13-6)5(10)3-12-9(14)11;10-8-1-2-9-6(3-4-12-9)7(8)5-11/h3-6,8-9H,2,7H2,1H3,(H,21,22);3-4H,2H2,1H3;1-4H,5,11H2
InChIKeyADKNDURXVOPDSH-UHFFFAOYSA-N
XLogP8.52
TPSA177.31 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500902.93
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine with MolForge

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Related Compounds

US10676479, Example 95
CID 139346167
Ethyl 8-(2,4-dimethylpyrimidin-5-yl)-5-(((5-fluoro-
CID 139346153
US10676479, Example 11
CID 139346197
Ethyl 8-(2,6-dimethylpyridin-3-yl)-5-(((5-fluoro-
CID 139346206
US11220509, Example 3
CID 139381694
US11091495, Example 3
CID 139381724
US11091495, Example 12
CID 139381725
US11091495, Example 141
CID 139381834
US11091495, Example 166
CID 155788127
US11091495, Example 9
CID 155788174
US11091495, Example 18
CID 156050979
5-[(5-Fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carboxylic acid
CID 132257122

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine?
The IUPAC name of ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine (CID 157079917) is ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine.
What is the SMILES notation for ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine?
The canonical SMILES for ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine is CCOC(=O)c1cn2c(Cl)ncc(Br)c2n1.CCOC(=O)c1cn2c(NCc3c(F)ccc4occc34)ncc(Br)c2n1.NCc1c(F)ccc2occc12.
What is the InChIKey of ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine?
The InChIKey is ADKNDURXVOPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O3.C9H7BrClN3O2.C9H8FNO/c1-2-26-17(25)14-9-24-16(23-14)12(19)8-22-18(24)21-7-11-10-5-6-27-15(10)4-3-13(11)20;1-2-16-8(15)6-4-14-7(13-6)5(10)3-12-9(14)11;10-8-1-2-9-6(3-4-12-9)7(8)5-11/h3-6,8-9H,2,7H2,1H3,(H,21,22);3-4H,2H2,1H3;1-4H,5,11H2.
What are the key properties of ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine?
ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine has a molecular weight of 902.93 g/mol, XLogP of 8.52, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-5-chloroimidazo[1,2-c]pyrimidine-2-carboxylate;ethyl 8-bromo-5-[(5-fluoro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylate;(5-fluoro-1-benzofuran-4-yl)methanamine is sourced from PubChem (CID 157079917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).