2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane

C120H164FN31O9S — CID 161302980

About 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane

2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane (PubChem CID 161302980) has the molecular formula C120H164FN31O9S and a molecular weight of 2235.90 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;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane.

Molecular Properties

• Compound Name: 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
• PubChem CID: 161302980
• Molecular Formula: C120H164FN31O9S
• Molecular Weight: 2235.90 g/mol
• Exact Mass: 2234.30
• IUPAC Name: 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane
• SMILES: CC(C)CC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CC1(C)c2cnc(Nc3ccc(F)cc3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CCCC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CN1CCN(C(=O)N2Cc3nc(Nc4ccccc4)ncc3C2(C)C)CC1.CN1CCN(C(=O)N2Cc3nc(Nc4ccccc4)ncc3C2(C)C)CC1(C)C.C[C@H](CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C.S
• InChI: InChI=1S/C23H24FN5O2.C22H30N6O.C20H26N6O.C20H28N6O.C18H28N4O2.C17H26N4O2.H2S/c1-23(2)18-12-25-21(26-17-10-8-16(24)9-11-17)27-19(18)13-29(23)22(31)28-20(14-30)15-6-4-3-5-7-15;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;1-20(2)16-13-21-18(22-15-7-5-4-6-8-15)23-17(16)14-26(20)19(27)25-11-9-24(3)10-12-25;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;1-12(2)9-16(23)22-11-15-14(18(22,3)4)10-19-17(21-15)20-13-5-7-24-8-6-13;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;/h3-12,20,30H,13-14H2,1-2H3,(H,28,31)(H,25,26,27);6-10,13H,11-12,14-15H2,1-5H3,(H,23,24,25);4-8,13H,9-12,14H2,1-3H3,(H,21,22,23);6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24);10,12-13H,5-9,11H2,1-4H3,(H,19,20,21);10,12H,4-9,11H2,1-3H3,(H,18,19,20);1H2/t20-;;;14-;;;/m1..1.../s1
• InChIKey: VHWCQUALMRDMGS-SUHQNSBHSA-N
• XLogP: 18.09
• TPSA: 427.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.90
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	9
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;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?

The IUPAC name of 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane (CID 161302980) is 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane.

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;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?

The canonical SMILES for 2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane is CC(C)CC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CC1(C)c2cnc(Nc3ccc(F)cc3)nc2CN1C(=O)N[C@H](CO)c1ccccc1.CCCC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C.CN1CCN(C(=O)N2Cc3nc(Nc4ccccc4)ncc3C2(C)C)CC1.CN1CCN(C(=O)N2Cc3nc(Nc4ccccc4)ncc3C2(C)C)CC1(C)C.C[C@H](CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C.S.

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;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?

The InChIKey is VHWCQUALMRDMGS-SUHQNSBHSA-N. The full InChI is InChI=1S/C23H24FN5O2.C22H30N6O.C20H26N6O.C20H28N6O.C18H28N4O2.C17H26N4O2.H2S/c1-23(2)18-12-25-21(26-17-10-8-16(24)9-11-17)27-19(18)13-29(23)22(31)28-20(14-30)15-6-4-3-5-7-15;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;1-20(2)16-13-21-18(22-15-7-5-4-6-8-15)23-17(16)14-26(20)19(27)25-11-9-24(3)10-12-25;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;1-12(2)9-16(23)22-11-15-14(18(22,3)4)10-19-17(21-15)20-13-5-7-24-8-6-13;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;/h3-12,20,30H,13-14H2,1-2H3,(H,28,31)(H,25,26,27);6-10,13H,11-12,14-15H2,1-5H3,(H,23,24,25);4-8,13H,9-12,14H2,1-3H3,(H,21,22,23);6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24);10,12-13H,5-9,11H2,1-4H3,(H,19,20,21);10,12H,4-9,11H2,1-3H3,(H,18,19,20);1H2/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;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane?

2-anilino-N-[(2R)-1-(dimethylamino)propan-2-yl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane has a molecular weight of 2235.90 g/mol, XLogP of 18.09, 22 rotatable bonds, 9 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;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(4-methylpiperazin-1-yl)methanone;(2-anilino-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidin-6-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone;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]-3-methylbutan-1-one;2-(4-fluoroanilino)-N-[(1S)-2-hydroxy-1-phenylethyl]-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;sulfane is sourced from PubChem (CID 161302980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).