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

C97H115F2N27O12S2 — CID 159291754

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

4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 159291754) has the molecular formula C97H115F2N27O12S2 and a molecular weight of 1953.29 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 159291754
• Molecular Formula: C97H115F2N27O12S2
• Molecular Weight: 1953.29 g/mol
• Exact Mass: 1951.86
• IUPAC Name: 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(NCc3ccccc3N(C)S(C)(=O)=O)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccc(F)c(F)c3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cccc(C)n3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)CCN2
• InChI: InChI=1S/C26H33N7O4S.C25H31N7O4S.C23H24F2N6O2.C23H27N7O2/c1-32(38(3,34)35)22-7-5-4-6-18(22)17-28-25-20-10-11-27-24(20)30-26(31-25)29-21-9-8-19(16-23(21)36-2)33-12-14-37-15-13-33;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;1-32-20-13-15(31-8-10-33-11-9-31)3-5-19(20)28-23-29-21-16(6-7-26-21)22(30-23)27-14-2-4-17(24)18(25)12-14;1-15-4-3-5-20(25-15)27-22-17-8-9-24-21(17)28-23(29-22)26-18-7-6-16(14-19(18)31-2)30-10-12-32-13-11-30/h4-9,16H,10-15,17H2,1-3H3,(H3,27,28,29,30,31);4-9,16H,10-15H2,1-3H3,(H3,26,27,28,29,30);2-5,12-13H,6-11H2,1H3,(H3,26,27,28,29,30);3-7,14H,8-13H2,1-2H3,(H3,24,25,26,27,28,29)
• InChIKey: LAFGVAFQPSOKGX-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 421.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1953.29
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

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

The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 159291754) is 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[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)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(NCc3ccccc3N(C)S(C)(=O)=O)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccc(F)c(F)c3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3cccc(C)n3)n1)CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)CCN2.

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

The InChIKey is LAFGVAFQPSOKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O4S.C25H31N7O4S.C23H24F2N6O2.C23H27N7O2/c1-32(38(3,34)35)22-7-5-4-6-18(22)17-28-25-20-10-11-27-24(20)30-26(31-25)29-21-9-8-19(16-23(21)36-2)33-12-14-37-15-13-33;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;1-32-20-13-15(31-8-10-33-11-9-31)3-5-19(20)28-23-29-21-16(6-7-26-21)22(30-23)27-14-2-4-17(24)18(25)12-14;1-15-4-3-5-20(25-15)27-22-17-8-9-24-21(17)28-23(29-22)26-18-7-6-16(14-19(18)31-2)30-10-12-32-13-11-30/h4-9,16H,10-15,17H2,1-3H3,(H3,27,28,29,30,31);4-9,16H,10-15H2,1-3H3,(H3,26,27,28,29,30);2-5,12-13H,6-11H2,1H3,(H3,26,27,28,29,30);3-7,14H,8-13H2,1-2H3,(H3,24,25,26,27,28,29).

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

4-N-(3,4-difluorophenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 1953.29 g/mol, XLogP of 13.75, 29 rotatable bonds, 12 hydrogen bond donors, and 37 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)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;N-[2-[[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-methylmethanesulfonamide;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(6-methyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159291754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).