2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one

C122H172N30O9 — CID 161099813

About 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one

2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one (PubChem CID 161099813) has the molecular formula C122H172N30O9 and a molecular weight of 2202.92 g/mol. Its IUPAC name is 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one
• PubChem CID: 161099813
• Molecular Formula: C122H172N30O9
• Molecular Weight: 2202.92 g/mol
• Exact Mass: 2201.39
• IUPAC Name: 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one
• SMILES: CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)NCC1CCCCC1.CCC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CCCC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CN(C)C[C@@H](CC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1.CN1CCN(C(=O)N2Cc3nc(Nc4ccccc4)ncc3C2(C)C)CC1(C)C.C[C@H](CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
• InChI: InChI=1S/C26H31N5O.C22H30N6O.C21H33N5O2.C20H28N6O.C17H26N4O2.C16H24N4O2/c1-26(2)22-16-27-25(28-21-13-9-6-10-14-21)29-23(22)18-31(26)24(32)15-20(17-30(3)4)19-11-7-5-8-12-19;1-21(2)15-27(12-11-26(21)5)20(29)28-14-18-17(22(28,3)4)13-23-19(25-18)24-16-9-7-6-8-10-16;1-21(2)17-13-22-19(24-16-8-10-28-11-9-16)25-18(17)14-26(21)20(27)23-12-15-6-4-3-5-7-15;1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15;1-4-5-15(22)21-11-14-13(17(21,2)3)10-18-16(20-14)19-12-6-8-23-9-7-12;1-4-14(21)20-10-13-12(16(20,2)3)9-17-15(19-13)18-11-5-7-22-8-6-11/h5-14,16,20H,15,17-18H2,1-4H3,(H,27,28,29);6-10,13H,11-12,14-15H2,1-5H3,(H,23,24,25);13,15-16H,3-12,14H2,1-2H3,(H,23,27)(H,22,24,25);6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24);10,12H,4-9,11H2,1-3H3,(H,18,19,20);9,11H,4-8,10H2,1-3H3,(H,17,18,19)/t20-;;;14-;;/m1..1../s1
• InChIKey: UIGRZCGSVYGMKD-RXYBGATKSA-N
• XLogP: 18.79
• TPSA: 413.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2202.92
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?

The IUPAC name of 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one (CID 161099813) is 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one.

What is the SMILES notation for 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?

The canonical SMILES for 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one is CC1(C)c2cnc(NC3CCOCC3)nc2CN1C(=O)NCC1CCCCC1.CCC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CCCC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CN(C)C[C@@H](CC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C)c1ccccc1.CN1CCN(C(=O)N2Cc3nc(Nc4ccccc4)ncc3C2(C)C)CC1(C)C.C[C@H](CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C.

What is the InChIKey of 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?

The InChIKey is UIGRZCGSVYGMKD-RXYBGATKSA-N. The full InChI is InChI=1S/C26H31N5O.C22H30N6O.C21H33N5O2.C20H28N6O.C17H26N4O2.C16H24N4O2/c1-26(2)22-16-27-25(28-21-13-9-6-10-14-21)29-23(22)18-31(26)24(32)15-20(17-30(3)4)19-11-7-5-8-12-19;1-21(2)15-27(12-11-26(21)5)20(29)28-14-18-17(22(28,3)4)13-23-19(25-18)24-16-9-7-6-8-10-16;1-21(2)17-13-22-19(24-16-8-10-28-11-9-16)25-18(17)14-26(21)20(27)23-12-15-6-4-3-5-7-15;1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15;1-4-5-15(22)21-11-14-13(17(21,2)3)10-18-16(20-14)19-12-6-8-23-9-7-12;1-4-14(21)20-10-13-12(16(20,2)3)9-17-15(19-13)18-11-5-7-22-8-6-11/h5-14,16,20H,15,17-18H2,1-4H3,(H,27,28,29);6-10,13H,11-12,14-15H2,1-5H3,(H,23,24,25);13,15-16H,3-12,14H2,1-2H3,(H,23,27)(H,22,24,25);6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24);10,12H,4-9,11H2,1-3H3,(H,18,19,20);9,11H,4-8,10H2,1-3H3,(H,17,18,19)/t20-;;;14-;;/m1..1../s1.

What are the key properties of 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one?

2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 2202.92 g/mol, XLogP of 18.79, 25 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(3S)-1-(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-(dimethylamino)-3-phenylbutan-1-one;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;N-(cyclohexylmethyl)-5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]butan-1-one;1-[5,5-dimethyl-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 161099813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).