4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide

C110H140N30O10S — CID 162213452

About 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide

4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 162213452) has the molecular formula C110H140N30O10S and a molecular weight of 2074.60 g/mol. Its IUPAC name is 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 162213452
• Molecular Formula: C110H140N30O10S
• Molecular Weight: 2074.60 g/mol
• Exact Mass: 2073.11
• IUPAC Name: 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC(C)C)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CC3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)CCN2
• InChI: InChI=1S/C33H47N9O.C27H33N7O2.C25H31N7O4S.C25H29N7O3/c1-23(2)35-22-24-7-5-6-8-28(24)36-32-27-11-14-34-31(27)38-33(39-32)37-29-10-9-26(21-30(29)43-4)41-15-12-25(13-16-41)42-19-17-40(3)18-20-42;1-35-24-16-20(34-12-14-36-15-13-34)8-9-23(24)31-27-32-25-21(10-11-28-25)26(33-27)30-22-5-3-2-4-18(22)17-29-19-6-7-19;1-31(37(3,33)34)21-7-5-4-6-19(21)27-24-18-10-11-26-23(18)29-25(30-24)28-20-9-8-17(16-22(20)35-2)32-12-14-36-15-13-32;1-26-24(33)17-5-3-4-6-19(17)28-23-18-9-10-27-22(18)30-25(31-23)29-20-8-7-16(15-21(20)34-2)32-11-13-35-14-12-32/h5-10,21,23,25,35H,11-20,22H2,1-4H3,(H3,34,36,37,38,39);2-5,8-9,16,19,29H,6-7,10-15,17H2,1H3,(H3,28,30,31,32,33);4-9,16H,10-15H2,1-3H3,(H3,26,27,28,29,30);3-8,15H,9-14H2,1-2H3,(H,26,33)(H3,27,28,29,30,31)
• InChIKey: ZTDXAKCLQMHSIQ-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 422.07 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.60
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

The IUPAC name of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 162213452) is 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC(C)C)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3CNC3CC3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)CCN2.

What is the InChIKey of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

The InChIKey is ZTDXAKCLQMHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N9O.C27H33N7O2.C25H31N7O4S.C25H29N7O3/c1-23(2)35-22-24-7-5-6-8-28(24)36-32-27-11-14-34-31(27)38-33(39-32)37-29-10-9-26(21-30(29)43-4)41-15-12-25(13-16-41)42-19-17-40(3)18-20-42;1-35-24-16-20(34-12-14-36-15-13-34)8-9-23(24)31-27-32-25-21(10-11-28-25)26(33-27)30-22-5-3-2-4-18(22)17-29-19-6-7-19;1-31(37(3,33)34)21-7-5-4-6-19(21)27-24-18-10-11-26-23(18)29-25(30-24)28-20-9-8-17(16-22(20)35-2)32-12-14-36-15-13-32;1-26-24(33)17-5-3-4-6-19(17)28-23-18-9-10-27-22(18)30-25(31-23)29-20-8-7-16(15-21(20)34-2)32-11-13-35-14-12-32/h5-10,21,23,25,35H,11-20,22H2,1-4H3,(H3,34,36,37,38,39);2-5,8-9,16,19,29H,6-7,10-15,17H2,1H3,(H3,28,30,31,32,33);4-9,16H,10-15H2,1-3H3,(H3,26,27,28,29,30);3-8,15H,9-14H2,1-2H3,(H,26,33)(H3,27,28,29,30,31).

What are the key properties of 4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide?

4-N-[2-[(cyclopropylamino)methyl]phenyl]-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 2074.60 g/mol, XLogP of 14.99, 34 rotatable bonds, 15 hydrogen bond donors, and 38 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)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-[2-[(propan-2-ylamino)methyl]phenyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 162213452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).