lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate

C142H125Cl5LiN37O6 — CID 161495350

About lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate

lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate (PubChem CID 161495350) has the molecular formula C142H125Cl5LiN37O6 and a molecular weight of 2630.02 g/mol. Its IUPAC name is lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate.

Molecular Properties

• Compound Name: lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate
• PubChem CID: 161495350
• Molecular Formula: C142H125Cl5LiN37O6
• Molecular Weight: 2630.02 g/mol
• Exact Mass: 2625.92
• IUPAC Name: lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate
• SMILES: CCOC(=O)Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.N/C(=N\c1ccc(Cl)cc1)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C([O-])Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.[C-]#[N+]c1cnc(NC2Cc3ccccc3C2)nc1.[Li+]
• InChI: InChI=1S/2C29H26ClN9O.C26H24ClN5O2.C24H20ClN5O2.C20H18ClN5.C14H12N4.Li/c2*30-21-5-7-24(8-6-21)39-16-23(13-27(40)38-10-9-25-26(17-38)36-37-35-25)33-28(39)20-14-31-29(32-15-20)34-22-11-18-3-1-2-4-19(18)12-22;1-2-34-24(33)13-22-16-32(23-9-7-20(27)8-10-23)25(30-22)19-14-28-26(29-15-19)31-21-11-17-5-3-4-6-18(17)12-21;25-18-5-7-21(8-6-18)30-14-20(11-22(31)32)28-23(30)17-12-26-24(27-13-17)29-19-9-15-3-1-2-4-16(15)10-19;21-16-5-7-17(8-6-16)25-19(22)15-11-23-20(24-12-15)26-18-9-13-3-1-2-4-14(13)10-18;1-15-13-8-16-14(17-9-13)18-12-6-10-4-2-3-5-11(10)7-12;/h2*1-8,14-16,22H,9-13,17H2,(H,31,32,34)(H,35,36,37);3-10,14-16,21H,2,11-13H2,1H3,(H,28,29,31);1-8,12-14,19H,9-11H2,(H,31,32)(H,26,27,29);1-8,11-12,18H,9-10H2,(H2,22,25)(H,23,24,26);2-5,8-9,12H,6-7H2,(H,16,17,18);/q;;;;;;+1/p-1
• InChIKey: HTYKGMGQIJKRSB-UHFFFAOYSA-M
• XLogP: 18.49
• TPSA: 531.07 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.02
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate?

The IUPAC name of lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate (CID 161495350) is lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate.

What is the SMILES notation for lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate?

The canonical SMILES for lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate is CCOC(=O)Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.N/C(=N\c1ccc(Cl)cc1)c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C([O-])Cc1cn(-c2ccc(Cl)cc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.[C-]#[N+]c1cnc(NC2Cc3ccccc3C2)nc1.[Li+].

What is the InChIKey of lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate?

The InChIKey is HTYKGMGQIJKRSB-UHFFFAOYSA-M. The full InChI is InChI=1S/2C29H26ClN9O.C26H24ClN5O2.C24H20ClN5O2.C20H18ClN5.C14H12N4.Li/c2*30-21-5-7-24(8-6-21)39-16-23(13-27(40)38-10-9-25-26(17-38)36-37-35-25)33-28(39)20-14-31-29(32-15-20)34-22-11-18-3-1-2-4-19(18)12-22;1-2-34-24(33)13-22-16-32(23-9-7-20(27)8-10-23)25(30-22)19-14-28-26(29-15-19)31-21-11-17-5-3-4-6-18(17)12-21;25-18-5-7-21(8-6-18)30-14-20(11-22(31)32)28-23(30)17-12-26-24(27-13-17)29-19-9-15-3-1-2-4-16(15)10-19;21-16-5-7-17(8-6-16)25-19(22)15-11-23-20(24-12-15)26-18-9-13-3-1-2-4-14(13)10-18;1-15-13-8-16-14(17-9-13)18-12-6-10-4-2-3-5-11(10)7-12;/h2*1-8,14-16,22H,9-13,17H2,(H,31,32,34)(H,35,36,37);3-10,14-16,21H,2,11-13H2,1H3,(H,28,29,31);1-8,12-14,19H,9-11H2,(H,31,32)(H,26,27,29);1-8,11-12,18H,9-10H2,(H2,22,25)(H,23,24,26);2-5,8-9,12H,6-7H2,(H,16,17,18);/q;;;;;;+1/p-1.

What are the key properties of lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate?

lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate has a molecular weight of 2630.02 g/mol, XLogP of 18.49, 31 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N'-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidamide;2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate;bis(2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);N-(2,3-dihydro-1H-inden-2-yl)-5-isocyanopyrimidin-2-amine;ethyl 2-[1-(4-chlorophenyl)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]acetate is sourced from PubChem (CID 161495350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).