N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol

C137H206N16O10 — CID 161033647

About N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol

N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol (PubChem CID 161033647) has the molecular formula C137H206N16O10 and a molecular weight of 2237.26 g/mol. Its IUPAC name is N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol.

Molecular Properties

• Compound Name: N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol
• PubChem CID: 161033647
• Molecular Formula: C137H206N16O10
• Molecular Weight: 2237.26 g/mol
• Exact Mass: 2235.61
• IUPAC Name: N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol
• SMILES: C.C1CCOC1.COc1cc(C)c2c(c1)C1(CCCCC1)N(/C=N/C(C)(C)C)C2(C)C.COc1cc(C)c2c(c1)C1(CCCCC1)N(/C=N/C(C)(C)C)C2C.Cc1c(N)ncnc1NC(=O)C1CC1.Cc1cc(C)c2c(c1)C1(CCCCC1)N(C(=O)OC(C)(C)C)C2(C)C.Cc1cc(Nc2ncnc(N)c2C)cc2c1C(C)(C)NC21CCCCC1.Cc1cc(O)cc2c1C(C)(C)N(C(=O)OC(C)(C)C)C21CCCCC1.Cc1cc(O)cc2c1C(C)(C)NC21CCCCC1
• InChI: InChI=1S/C22H34N2O.C22H33NO2.C21H29N5.C21H32N2O.C21H31NO3.C16H23NO.C9H12N4O.C4H8O.CH4/c1-16-13-17(25-7)14-18-19(16)21(5,6)24(15-23-20(2,3)4)22(18)11-9-8-10-12-22;1-15-13-16(2)18-17(14-15)22(11-9-8-10-12-22)23(21(18,6)7)19(24)25-20(3,4)5;1-13-10-15(25-19-14(2)18(22)23-12-24-19)11-16-17(13)20(3,4)26-21(16)8-6-5-7-9-21;1-15-12-17(24-6)13-18-19(15)16(2)23(14-22-20(3,4)5)21(18)10-8-7-9-11-21;1-14-12-15(23)13-16-17(14)20(5,6)22(18(24)25-19(2,3)4)21(16)10-8-7-9-11-21;1-11-9-12(18)10-13-14(11)15(2,3)17-16(13)7-5-4-6-8-16;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-2-4-5-3-1;/h13-15H,8-12H2,1-7H3;13-14H,8-12H2,1-7H3;10-12,26H,5-9H2,1-4H3,(H3,22,23,24,25);12-14,16H,7-11H2,1-6H3;12-13,23H,7-11H2,1-6H3;9-10,17-18H,4-8H2,1-3H3;4,6H,2-3H2,1H3,(H3,10,11,12,13,14);1-4H2;1H4/b23-15+;;;22-14+
• InChIKey: TZYQFHLPWWBRKU-FXZLKCCZSA-N
• XLogP: 32.47
• TPSA: 327.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.26
LogP ≤ 5	32.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol?

The IUPAC name of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol (CID 161033647) is N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol.

What is the SMILES notation for N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol?

The canonical SMILES for N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol is C.C1CCOC1.COc1cc(C)c2c(c1)C1(CCCCC1)N(/C=N/C(C)(C)C)C2(C)C.COc1cc(C)c2c(c1)C1(CCCCC1)N(/C=N/C(C)(C)C)C2C.Cc1c(N)ncnc1NC(=O)C1CC1.Cc1cc(C)c2c(c1)C1(CCCCC1)N(C(=O)OC(C)(C)C)C2(C)C.Cc1cc(Nc2ncnc(N)c2C)cc2c1C(C)(C)NC21CCCCC1.Cc1cc(O)cc2c1C(C)(C)N(C(=O)OC(C)(C)C)C21CCCCC1.Cc1cc(O)cc2c1C(C)(C)NC21CCCCC1.

What is the InChIKey of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol?

The InChIKey is TZYQFHLPWWBRKU-FXZLKCCZSA-N. The full InChI is InChI=1S/C22H34N2O.C22H33NO2.C21H29N5.C21H32N2O.C21H31NO3.C16H23NO.C9H12N4O.C4H8O.CH4/c1-16-13-17(25-7)14-18-19(16)21(5,6)24(15-23-20(2,3)4)22(18)11-9-8-10-12-22;1-15-13-16(2)18-17(14-15)22(11-9-8-10-12-22)23(21(18,6)7)19(24)25-20(3,4)5;1-13-10-15(25-19-14(2)18(22)23-12-24-19)11-16-17(13)20(3,4)26-21(16)8-6-5-7-9-21;1-15-12-17(24-6)13-18-19(15)16(2)23(14-22-20(3,4)5)21(18)10-8-7-9-11-21;1-14-12-15(23)13-16-17(14)20(5,6)22(18(24)25-19(2,3)4)21(16)10-8-7-9-11-21;1-11-9-12(18)10-13-14(11)15(2,3)17-16(13)7-5-4-6-8-16;1-5-7(10)11-4-12-8(5)13-9(14)6-2-3-6;1-2-4-5-3-1;/h13-15H,8-12H2,1-7H3;13-14H,8-12H2,1-7H3;10-12,26H,5-9H2,1-4H3,(H3,22,23,24,25);12-14,16H,7-11H2,1-6H3;12-13,23H,7-11H2,1-6H3;9-10,17-18H,4-8H2,1-3H3;4,6H,2-3H2,1H3,(H3,10,11,12,13,14);1-4H2;1H4/b23-15+;;;22-14+;;;;;.

What are the key properties of N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol?

N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol has a molecular weight of 2237.26 g/mol, XLogP of 32.47, 8 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-methylpyrimidin-4-yl)cyclopropanecarboxamide;tert-butyl 6'-hydroxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;N-tert-butyl-1-(5-methoxy-1,7-dimethylspiro[1H-isoindole-3,1'-cyclohexane]-2-yl)methanimine;N-tert-butyl-1-(6'-methoxy-3',3',4'-trimethylspiro[cyclohexane-1,1'-isoindole]-2'-yl)methanimine;tert-butyl 3',3',4',6'-tetramethylspiro[cyclohexane-1,1'-isoindole]-2'-carboxylate;methane;5-methyl-4-N-(1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-yl)pyrimidine-4,6-diamine;oxolane;1,1,7-trimethylspiro[2H-isoindole-3,1'-cyclohexane]-5-ol is sourced from PubChem (CID 161033647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).