4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide

C109H136N28O11S — CID 158880905

About 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide

4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 158880905) has the molecular formula C109H136N28O11S and a molecular weight of 2046.54 g/mol. Its IUPAC name is 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 158880905
• Molecular Formula: C109H136N28O11S
• Molecular Weight: 2046.54 g/mol
• Exact Mass: 2045.07
• IUPAC Name: 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CCC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)CN2
• InChI: InChI=1S/C29H37N7O2.C28H35N7O2.C26H33N7O4S.C26H31N7O3/c1-19-17-31-27-26(19)28(32-23-9-4-3-6-20(23)18-30-21-7-5-8-21)35-29(34-27)33-24-11-10-22(16-25(24)37-2)36-12-14-38-15-13-36;1-18-16-30-26-25(18)27(31-22-6-4-3-5-19(22)17-29-20-7-8-20)34-28(33-26)32-23-10-9-21(15-24(23)36-2)35-11-13-37-14-12-35;1-17-16-27-24-23(17)25(28-19-7-5-6-8-21(19)32(2)38(4,34)35)31-26(30-24)29-20-10-9-18(15-22(20)36-3)33-11-13-37-14-12-33;1-16-15-28-23-22(16)24(29-19-7-5-4-6-18(19)25(34)27-2)32-26(31-23)30-20-9-8-17(14-21(20)35-3)33-10-12-36-13-11-33/h3-4,6,9-11,16,19,21,30H,5,7-8,12-15,17-18H2,1-2H3,(H3,31,32,33,34,35);3-6,9-10,15,18,20,29H,7-8,11-14,16-17H2,1-2H3,(H3,30,31,32,33,34);5-10,15,17H,11-14,16H2,1-4H3,(H3,27,28,29,30,31);4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32)
• InChIKey: JDADJDWGQHXCTH-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 424.82 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.54
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

The IUPAC name of 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 158880905) is 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CCC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)CN2.

What is the InChIKey of 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

The InChIKey is JDADJDWGQHXCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2.C28H35N7O2.C26H33N7O4S.C26H31N7O3/c1-19-17-31-27-26(19)28(32-23-9-4-3-6-20(23)18-30-21-7-5-8-21)35-29(34-27)33-24-11-10-22(16-25(24)37-2)36-12-14-38-15-13-36;1-18-16-30-26-25(18)27(31-22-6-4-3-5-19(22)17-29-20-7-8-20)34-28(33-26)32-23-10-9-21(15-24(23)36-2)35-11-13-37-14-12-35;1-17-16-27-24-23(17)25(28-19-7-5-6-8-21(19)32(2)38(4,34)35)31-26(30-24)29-20-10-9-18(15-22(20)36-3)33-11-13-37-14-12-33;1-16-15-28-23-22(16)24(29-19-7-5-4-6-18(19)25(34)27-2)32-26(31-23)30-20-9-8-17(14-21(20)35-3)33-10-12-36-13-11-33/h3-4,6,9-11,16,19,21,30H,5,7-8,12-15,17-18H2,1-2H3,(H3,31,32,33,34,35);3-6,9-10,15,18,20,29H,7-8,11-14,16-17H2,1-2H3,(H3,30,31,32,33,34);5-10,15,17H,11-14,16H2,1-4H3,(H3,27,28,29,30,31);4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32).

What are the key properties of 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 2046.54 g/mol, XLogP of 17.00, 33 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[(cyclobutylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 158880905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).