4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide

C110H136N28O12S — CID 158077699

About 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide

4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide (PubChem CID 158077699) has the molecular formula C110H136N28O12S and a molecular weight of 2074.55 g/mol. Its IUPAC name is 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide
• PubChem CID: 158077699
• Molecular Formula: C110H136N28O12S
• Molecular Weight: 2074.55 g/mol
• Exact Mass: 2073.06
• IUPAC Name: 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)(C)CN2
• InChI: InChI=1S/C29H37N7O2.C27H35N7O4S.C27H31N7O3.C27H33N7O3/c1-29(2)18-31-26-25(29)27(32-22-7-5-4-6-19(22)17-30-20-8-9-20)35-28(34-26)33-23-11-10-21(16-24(23)37-3)36-12-14-38-15-13-36;1-27(2)17-28-24-23(27)25(29-19-8-6-7-9-21(19)33(3)39(5,35)36)32-26(31-24)30-20-11-10-18(16-22(20)37-4)34-12-14-38-15-13-34;1-28-25(35)18-5-3-4-6-19(18)30-24-22-23(29-16-27(22)9-10-27)32-26(33-24)31-20-8-7-17(15-21(20)36-2)34-11-13-37-14-12-34;1-27(2)16-29-23-22(27)24(30-19-8-6-5-7-18(19)25(35)28-3)33-26(32-23)31-20-10-9-17(15-21(20)36-4)34-11-13-37-14-12-34/h4-7,10-11,16,20,30H,8-9,12-15,17-18H2,1-3H3,(H3,31,32,33,34,35);6-11,16H,12-15,17H2,1-5H3,(H3,28,29,30,31,32);3-8,15H,9-14,16H2,1-2H3,(H,28,35)(H3,29,30,31,32,33);5-10,15H,11-14,16H2,1-4H3,(H,28,35)(H3,29,30,31,32,33)
• InChIKey: FMONUVWLCKJDJF-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 441.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.55
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide?

The IUPAC name of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide (CID 158077699) is 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide.

What is the SMILES notation for 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide?

The canonical SMILES for 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)(C)CN2.

What is the InChIKey of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide?

The InChIKey is FMONUVWLCKJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2.C27H35N7O4S.C27H31N7O3.C27H33N7O3/c1-29(2)18-31-26-25(29)27(32-22-7-5-4-6-19(22)17-30-20-8-9-20)35-28(34-26)33-23-11-10-21(16-24(23)37-3)36-12-14-38-15-13-36;1-27(2)17-28-24-23(27)25(29-19-8-6-7-9-21(19)33(3)39(5,35)36)32-26(31-24)30-20-11-10-18(16-22(20)37-4)34-12-14-38-15-13-34;1-28-25(35)18-5-3-4-6-19(18)30-24-22-23(29-16-27(22)9-10-27)32-26(33-24)31-20-8-7-17(15-21(20)36-2)34-11-13-37-14-12-34;1-27(2)16-29-23-22(27)24(30-19-8-6-5-7-18(19)25(35)28-3)33-26(32-23)31-20-10-9-17(15-21(20)36-4)34-11-13-37-14-12-34/h4-7,10-11,16,20,30H,8-9,12-15,17-18H2,1-3H3,(H3,31,32,33,34,35);6-11,16H,12-15,17H2,1-5H3,(H3,28,29,30,31,32);3-8,15H,9-14,16H2,1-2H3,(H,28,35)(H3,29,30,31,32,33);5-10,15H,11-14,16H2,1-4H3,(H,28,35)(H3,29,30,31,32,33).

What are the key properties of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide?

4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide has a molecular weight of 2074.55 g/mol, XLogP of 16.17, 31 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 158077699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).