N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine

C132H154F2N34O16S3 — CID 159922220

About N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine

N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine (PubChem CID 159922220) has the molecular formula C132H154F2N34O16S3 and a molecular weight of 2607.10 g/mol. Its IUPAC name is N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine.

Molecular Properties

• Compound Name: N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine
• PubChem CID: 159922220
• Molecular Formula: C132H154F2N34O16S3
• Molecular Weight: 2607.10 g/mol
• Exact Mass: 2605.14
• IUPAC Name: N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine
• SMILES: CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccc(F)c(F)c3)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cccc(C)n3)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)N(C)C)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C1(CC1)CN2
• InChI: InChI=1S/C29H35N7O4S.C27H33N7O4S.C26H31N7O4S.C25H26F2N6O2.C25H29N7O2/c1-39-23-17-20(36-13-15-40-16-14-36)9-10-21(23)32-28-33-26-25(29(11-12-29)18-30-26)27(34-28)31-22-7-2-3-8-24(22)41(37,38)35-19-5-4-6-19;1-33(2)39(35,36)22-7-5-4-6-20(22)29-25-23-24(28-17-27(23)10-11-27)31-26(32-25)30-19-9-8-18(16-21(19)37-3)34-12-14-38-15-13-34;1-27-38(34,35)21-6-4-3-5-19(21)29-24-22-23(28-16-26(22)9-10-26)31-25(32-24)30-18-8-7-17(15-20(18)36-2)33-11-13-37-14-12-33;1-34-20-13-16(33-8-10-35-11-9-33)3-5-19(20)30-24-31-22-21(25(6-7-25)14-28-22)23(32-24)29-15-2-4-17(26)18(27)12-15;1-16-4-3-5-20(27-16)29-23-21-22(26-15-25(21)8-9-25)30-24(31-23)28-18-7-6-17(14-19(18)33-2)32-10-12-34-13-11-32/h2-3,7-10,17,19,35H,4-6,11-16,18H2,1H3,(H3,30,31,32,33,34);4-9,16H,10-15,17H2,1-3H3,(H3,28,29,30,31,32);3-8,15,27H,9-14,16H2,1-2H3,(H3,28,29,30,31,32);2-5,12-13H,6-11,14H2,1H3,(H3,28,29,30,31,32);3-7,14H,8-13,15H2,1-2H3,(H3,26,27,28,29,30,31)
• InChIKey: NYNXOROAIROXTK-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 560.46 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2607.10
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine?

The IUPAC name of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine (CID 159922220) is N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine.

What is the SMILES notation for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine?

The canonical SMILES for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine is CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccc(F)c(F)c3)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cccc(C)n3)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)N(C)C)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C1(CC1)CN2.

What is the InChIKey of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine?

The InChIKey is NYNXOROAIROXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4S.C27H33N7O4S.C26H31N7O4S.C25H26F2N6O2.C25H29N7O2/c1-39-23-17-20(36-13-15-40-16-14-36)9-10-21(23)32-28-33-26-25(29(11-12-29)18-30-26)27(34-28)31-22-7-2-3-8-24(22)41(37,38)35-19-5-4-6-19;1-33(2)39(35,36)22-7-5-4-6-20(22)29-25-23-24(28-17-27(23)10-11-27)31-26(32-25)30-19-9-8-18(16-21(19)37-3)34-12-14-38-15-13-34;1-27-38(34,35)21-6-4-3-5-19(21)29-24-22-23(28-16-26(22)9-10-26)31-25(32-24)30-18-8-7-17(15-20(18)36-2)33-11-13-37-14-12-33;1-34-20-13-16(33-8-10-35-11-9-33)3-5-19(20)30-24-31-22-21(25(6-7-25)14-28-22)23(32-24)29-15-2-4-17(26)18(27)12-15;1-16-4-3-5-20(27-16)29-23-21-22(26-15-25(21)8-9-25)30-24(31-23)28-18-7-6-17(14-19(18)33-2)32-10-12-34-13-11-32/h2-3,7-10,17,19,35H,4-6,11-16,18H2,1H3,(H3,30,31,32,33,34);4-9,16H,10-15,17H2,1-3H3,(H3,28,29,30,31,32);3-8,15,27H,9-14,16H2,1-2H3,(H3,28,29,30,31,32);2-5,12-13H,6-11,14H2,1H3,(H3,28,29,30,31,32);3-7,14H,8-13,15H2,1-2H3,(H3,26,27,28,29,30,31).

What are the key properties of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine?

N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine has a molecular weight of 2607.10 g/mol, XLogP of 19.30, 37 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide;4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N,N-dimethylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzenesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2,4-diamine is sourced from PubChem (CID 159922220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).