sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide

C158H212Br5I3N19NaO14 — CID 158345545

About sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide

sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide (PubChem CID 158345545) has the molecular formula C158H212Br5I3N19NaO14 and a molecular weight of 3404.77 g/mol. Its IUPAC name is sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide.

Molecular Properties

• Compound Name: sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide
• PubChem CID: 158345545
• Molecular Formula: C158H212Br5I3N19NaO14
• Molecular Weight: 3404.77 g/mol
• Exact Mass: 3397.94
• IUPAC Name: sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide
• SMILES: C.C.C.C1CCOC1.CC1(C)CCCCC1N.COc1ccc(CN(C(=O)c2c(C)cc(Br)cc2I)C2CCCCC2(C)C)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCCCC3(C)C)cc1.Cc1c(N)ncnc1NC(=O)C1CC1.Cc1cc(Br)cc(I)c1C(=O)NC1CCCCC1(C)C.Cc1cc(Br)cc(I)c1C(=O)O.Cc1cc(Br)cc2c1C(=O)NC21CCCCC1(C)C.Cc1cc(Nc2ncnc(N)c2C)cc2c1C(=O)NC21CCCCC1(C)C.Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)cc2c1C(=O)NC21CCCCC1(C)C.[Na+].[OH-]
• InChI: InChI=1S/C25H31N5O2.C24H29BrINO2.C24H28BrNO2.C21H27N5O.C16H21BrINO.C16H20BrNO.C9H12N4O.C8H6BrIO2.C8H17N.C4H8O.3CH4.Na.H2O/c1-14-11-17(28-20-15(2)21(27-13-26-20)29-22(31)16-7-8-16)12-18-19(14)23(32)30-25(18)10-6-5-9-24(25,3)4;1-16-13-18(25)14-20(26)22(16)23(28)27(21-7-5-6-12-24(21,2)3)15-17-8-10-19(29-4)11-9-17;1-16-13-18(25)14-20-21(16)22(27)26(15-17-7-9-19(28-4)10-8-17)24(20)12-6-5-11-23(24,2)3;1-12-9-14(25-18-13(2)17(22)23-11-24-18)10-15-16(12)19(27)26-21(15)8-6-5-7-20(21,3)4;1-10-8-11(17)9-12(18)14(10)15(20)19-13-6-4-5-7-16(13,2)3;1-10-8-11(17)9-12-13(10)14(19)18-16(12)7-5-4-6-15(16,2)3;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-4-2-5(9)3-6(10)7(4)8(11)12;1-8(2)6-4-3-5-7(8)9;1-2-4-5-3-1;;;;;/h11-13,16H,5-10H2,1-4H3,(H,30,32)(H2,26,27,28,29,31);8-11,13-14,21H,5-7,12,15H2,1-4H3;7-10,13-14H,5-6,11-12,15H2,1-4H3;9-11H,5-8H2,1-4H3,(H,26,27)(H3,22,23,24,25);8-9,13H,4-7H2,1-3H3,(H,19,20);8-9H,4-7H2,1-3H3,(H,18,19);4,6H,2-3H2,1H3,(H3,10,11,12,13,14);2-3H,1H3,(H,11,12);7H,3-6,9H2,1-2H3;1-4H2;3*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1
• InChIKey: GRRODSRKJJNZAF-UHFFFAOYSA-M
• XLogP: 36.46
• TPSA: 489.67 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3404.77
LogP ≤ 5	36.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide?

The IUPAC name of sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide (CID 158345545) is sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide.

What is the SMILES notation for sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide?

The canonical SMILES for sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide is C.C.C.C1CCOC1.CC1(C)CCCCC1N.COc1ccc(CN(C(=O)c2c(C)cc(Br)cc2I)C2CCCCC2(C)C)cc1.COc1ccc(CN2C(=O)c3c(C)cc(Br)cc3C23CCCCC3(C)C)cc1.Cc1c(N)ncnc1NC(=O)C1CC1.Cc1cc(Br)cc(I)c1C(=O)NC1CCCCC1(C)C.Cc1cc(Br)cc(I)c1C(=O)O.Cc1cc(Br)cc2c1C(=O)NC21CCCCC1(C)C.Cc1cc(Nc2ncnc(N)c2C)cc2c1C(=O)NC21CCCCC1(C)C.Cc1cc(Nc2ncnc(NC(=O)C3CC3)c2C)cc2c1C(=O)NC21CCCCC1(C)C.[Na+].[OH-].

What is the InChIKey of sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide?

The InChIKey is GRRODSRKJJNZAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H31N5O2.C24H29BrINO2.C24H28BrNO2.C21H27N5O.C16H21BrINO.C16H20BrNO.C9H12N4O.C8H6BrIO2.C8H17N.C4H8O.3CH4.Na.H2O/c1-14-11-17(28-20-15(2)21(27-13-26-20)29-22(31)16-7-8-16)12-18-19(14)23(32)30-25(18)10-6-5-9-24(25,3)4;1-16-13-18(25)14-20(26)22(16)23(28)27(21-7-5-6-12-24(21,2)3)15-17-8-10-19(29-4)11-9-17;1-16-13-18(25)14-20-21(16)22(27)26(15-17-7-9-19(28-4)10-8-17)24(20)12-6-5-11-23(24,2)3;1-12-9-14(25-18-13(2)17(22)23-11-24-18)10-15-16(12)19(27)26-21(15)8-6-5-7-20(21,3)4;1-10-8-11(17)9-12(18)14(10)15(20)19-13-6-4-5-7-16(13,2)3;1-10-8-11(17)9-12-13(10)14(19)18-16(12)7-5-4-6-15(16,2)3;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-4-2-5(9)3-6(10)7(4)8(11)12;1-8(2)6-4-3-5-7(8)9;1-2-4-5-3-1;;;;;/h11-13,16H,5-10H2,1-4H3,(H,30,32)(H2,26,27,28,29,31);8-11,13-14,21H,5-7,12,15H2,1-4H3;7-10,13-14H,5-6,11-12,15H2,1-4H3;9-11H,5-8H2,1-4H3,(H,26,27)(H3,22,23,24,25);8-9,13H,4-7H2,1-3H3,(H,19,20);8-9H,4-7H2,1-3H3,(H,18,19);4,6H,2-3H2,1H3,(H3,10,11,12,13,14);2-3H,1H3,(H,11,12);7H,3-6,9H2,1-2H3;1-4H2;3*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1.

What are the key properties of sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide?

sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide has a molecular weight of 3404.77 g/mol, XLogP of 36.46, 19 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-[(6-amino-5-methylpyrimidin-4-yl)amino]-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-N-[(4-methoxyphenyl)methyl]-6-methylbenzamide;4-bromo-N-(2,2-dimethylcyclohexyl)-2-iodo-6-methylbenzamide;4-bromo-2-iodo-6-methylbenzoic acid;5'-bromo-2'-[(4-methoxyphenyl)methyl]-1,1,7'-trimethylspiro[cyclohexane-2,3'-isoindole]-1'-one;5-bromo-1',1',7-trimethylspiro[2H-isoindole-3,2'-cyclohexane]-1-one;2,2-dimethylcyclohexan-1-amine;methane;N-[5-methyl-6-[(1',1',7-trimethyl-1-oxospiro[2H-isoindole-3,2'-cyclohexane]-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide;oxolane;hydroxide is sourced from PubChem (CID 158345545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).