4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

C132H163F2N35O15S2 — CID 158023958

About 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 158023958) has the molecular formula C132H163F2N35O15S2 and a molecular weight of 2582.12 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 158023958
• Molecular Formula: C132H163F2N35O15S2
• Molecular Weight: 2582.12 g/mol
• Exact Mass: 2580.25
• IUPAC Name: 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
• SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccc(F)c(F)c3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cccc(C)n3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)N3CCCC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ncccc3NC(C)=O)n1)C(C)(C)CN2
• InChI: InChI=1S/C29H37N7O4S.C27H35N7O4S.C26H32N8O3.C25H28F2N6O2.C25H31N7O2/c1-29(2)19-30-26-25(29)27(31-22-8-4-5-9-24(22)41(37,38)36-12-6-7-13-36)34-28(33-26)32-21-11-10-20(18-23(21)39-3)35-14-16-40-17-15-35;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;1-16(35)29-19-6-5-9-27-22(19)31-24-21-23(28-15-26(21,2)3)32-25(33-24)30-18-8-7-17(14-20(18)36-4)34-10-12-37-13-11-34;1-25(2)14-28-22-21(25)23(29-15-4-6-17(26)18(27)12-15)32-24(31-22)30-19-7-5-16(13-20(19)34-3)33-8-10-35-11-9-33;1-16-6-5-7-20(27-16)29-23-21-22(26-15-25(21,2)3)30-24(31-23)28-18-9-8-17(14-19(18)33-4)32-10-12-34-13-11-32/h4-5,8-11,18H,6-7,12-17,19H2,1-3H3,(H3,30,31,32,33,34);6-11,16H,12-15,17H2,1-5H3,(H3,28,29,30,31,32);5-9,14H,10-13,15H2,1-4H3,(H,29,35)(H3,27,28,30,31,32,33);4-7,12-13H,8-11,14H2,1-3H3,(H3,28,29,30,31,32);5-9,14H,10-13,15H2,1-4H3,(H3,26,27,28,29,30,31)
• InChIKey: FGJUEJYKUHJZQX-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 547.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.12
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 158023958) is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccc(F)c(F)c3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cccc(C)n3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)N3CCCC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ncccc3NC(C)=O)n1)C(C)(C)CN2.

What is the InChIKey of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is FGJUEJYKUHJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O4S.C27H35N7O4S.C26H32N8O3.C25H28F2N6O2.C25H31N7O2/c1-29(2)19-30-26-25(29)27(31-22-8-4-5-9-24(22)41(37,38)36-12-6-7-13-36)34-28(33-26)32-21-11-10-20(18-23(21)39-3)35-14-16-40-17-15-35;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;1-16(35)29-19-6-5-9-27-22(19)31-24-21-23(28-15-26(21,2)3)32-25(33-24)30-18-8-7-17(14-20(18)36-4)34-10-12-37-13-11-34;1-25(2)14-28-22-21(25)23(29-15-4-6-17(26)18(27)12-15)32-24(31-22)30-19-7-5-16(13-20(19)34-3)33-8-10-35-11-9-33;1-16-6-5-7-20(27-16)29-23-21-22(26-15-25(21,2)3)30-24(31-23)28-18-9-8-17(14-19(18)33-4)32-10-12-34-13-11-32/h4-5,8-11,18H,6-7,12-17,19H2,1-3H3,(H3,30,31,32,33,34);6-11,16H,12-15,17H2,1-5H3,(H3,28,29,30,31,32);5-9,14H,10-13,15H2,1-4H3,(H,29,35)(H3,27,28,30,31,32,33);4-7,12-13H,8-11,14H2,1-3H3,(H3,28,29,30,31,32);5-9,14H,10-13,15H2,1-4H3,(H3,26,27,28,29,30,31).

What are the key properties of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?

4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 2582.12 g/mol, XLogP of 21.08, 35 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;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;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-pyridinyl]acetamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(6-methyl-2-pyridinyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-5,5-dimethyl-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)-6,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158023958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).