lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride

C152H171BrClLiN44O9 — CID 161075090

About lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride

lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride (PubChem CID 161075090) has the molecular formula C152H171BrClLiN44O9 and a molecular weight of 2880.64 g/mol. Its IUPAC name is lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride.

Molecular Properties

• Compound Name: lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride
• PubChem CID: 161075090
• Molecular Formula: C152H171BrClLiN44O9
• Molecular Weight: 2880.64 g/mol
• Exact Mass: 2877.33
• IUPAC Name: lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride
• SMILES: Brc1cnc(NC2Cc3ccccc3C2)nc1.C.C.CC/N=C(\N)c1cnc(NC2Cc3ccccc3C2)nc1.CCOC(=O)Cc1cn(CC)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.CCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.CCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.CCn1cc(CC(=O)O)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O.[C-]#[N+]c1cnc(NC2Cc3ccccc3C2)nc1.[H]/N=C(\OC)c1cnc(NC2Cc3ccccc3C2)nc1.[Li+].[OH-]
• InChI: InChI=1S/2C25H27N9O.C22H25N5O2.C20H21N5O2.C16H19N5.C15H16N4O.C14H12N4.C13H12BrN3.2CH4.ClH.Li.2H2O/c2*1-2-33-14-20(11-23(35)34-8-7-21-22(15-34)31-32-30-21)28-24(33)18-12-26-25(27-13-18)29-19-9-16-5-3-4-6-17(16)10-19;1-3-27-14-19(11-20(28)29-4-2)25-21(27)17-12-23-22(24-13-17)26-18-9-15-7-5-6-8-16(15)10-18;1-2-25-12-17(9-18(26)27)23-19(25)15-10-21-20(22-11-15)24-16-7-13-5-3-4-6-14(13)8-16;1-2-18-15(17)13-9-19-16(20-10-13)21-14-7-11-5-3-4-6-12(11)8-14;1-20-14(16)12-8-17-15(18-9-12)19-13-6-10-4-2-3-5-11(10)7-13;1-15-13-8-16-14(17-9-13)18-12-6-10-4-2-3-5-11(10)7-12;14-11-7-15-13(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;;;;;;/h2*3-6,12-14,19H,2,7-11,15H2,1H3,(H,26,27,29)(H,30,31,32);5-8,12-14,18H,3-4,9-11H2,1-2H3,(H,23,24,26);3-6,10-12,16H,2,7-9H2,1H3,(H,26,27)(H,21,22,24);3-6,9-10,14H,2,7-8H2,1H3,(H2,17,18)(H,19,20,21);2-5,8-9,13,16H,6-7H2,1H3,(H,17,18,19);2-5,8-9,12H,6-7H2,(H,16,17,18);1-4,7-8,12H,5-6H2,(H,15,16,17);2*1H4;1H;;2*1H2/q;;;;;;;;;;;+1;;/p-1/b;;;;;16-14-
• InChIKey: SXFJWYMDXYXLOH-UVFYSUFGSA-M
• XLogP: 16.91
• TPSA: 698.44 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 36
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2880.64
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

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;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride?

The IUPAC name of lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride (CID 161075090) is lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride.

What is the SMILES notation for lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride?

The canonical SMILES for lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride is Brc1cnc(NC2Cc3ccccc3C2)nc1.C.C.CC/N=C(\N)c1cnc(NC2Cc3ccccc3C2)nc1.CCOC(=O)Cc1cn(CC)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1.CCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.CCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.CCn1cc(CC(=O)O)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.Cl.O.[C-]#[N+]c1cnc(NC2Cc3ccccc3C2)nc1.[H]/N=C(\OC)c1cnc(NC2Cc3ccccc3C2)nc1.[Li+].[OH-].

What is the InChIKey of lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride?

The InChIKey is SXFJWYMDXYXLOH-UVFYSUFGSA-M. The full InChI is InChI=1S/2C25H27N9O.C22H25N5O2.C20H21N5O2.C16H19N5.C15H16N4O.C14H12N4.C13H12BrN3.2CH4.ClH.Li.2H2O/c2*1-2-33-14-20(11-23(35)34-8-7-21-22(15-34)31-32-30-21)28-24(33)18-12-26-25(27-13-18)29-19-9-16-5-3-4-6-17(16)10-19;1-3-27-14-19(11-20(28)29-4-2)25-21(27)17-12-23-22(24-13-17)26-18-9-15-7-5-6-8-16(15)10-18;1-2-25-12-17(9-18(26)27)23-19(25)15-10-21-20(22-11-15)24-16-7-13-5-3-4-6-14(13)8-16;1-2-18-15(17)13-9-19-16(20-10-13)21-14-7-11-5-3-4-6-12(11)8-14;1-20-14(16)12-8-17-15(18-9-12)19-13-6-10-4-2-3-5-11(10)7-13;1-15-13-8-16-14(17-9-13)18-12-6-10-4-2-3-5-11(10)7-12;14-11-7-15-13(16-8-11)17-12-5-9-3-1-2-4-10(9)6-12;;;;;;/h2*3-6,12-14,19H,2,7-11,15H2,1H3,(H,26,27,29)(H,30,31,32);5-8,12-14,18H,3-4,9-11H2,1-2H3,(H,23,24,26);3-6,10-12,16H,2,7-9H2,1H3,(H,26,27)(H,21,22,24);3-6,9-10,14H,2,7-8H2,1H3,(H2,17,18)(H,19,20,21);2-5,8-9,13,16H,6-7H2,1H3,(H,17,18,19);2-5,8-9,12H,6-7H2,(H,16,17,18);1-4,7-8,12H,5-6H2,(H,15,16,17);2*1H4;1H;;2*1H2/q;;;;;;;;;;;+1;;/p-1/b;;;;;16-14-;;;;;;;;.

What are the key properties of lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride?

lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride has a molecular weight of 2880.64 g/mol, XLogP of 16.91, 36 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-2-amine;2-(2,3-dihydro-1H-inden-2-ylamino)-N'-ethylpyrimidine-5-carboximidamide;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetic acid;bis(2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-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-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]acetate;methane;methyl 2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidate;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 161075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).