1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone

C109H132N34O15S4 — CID 159268876

About 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone

1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone (PubChem CID 159268876) has the molecular formula C109H132N34O15S4 and a molecular weight of 2286.75 g/mol. Its IUPAC name is 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone
• PubChem CID: 159268876
• Molecular Formula: C109H132N34O15S4
• Molecular Weight: 2286.75 g/mol
• Exact Mass: 2284.95
• IUPAC Name: 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone
• SMILES: CC(=O)c1cnc(Nc2ccc(N3CCCC(C(N)=O)C3)cc2)nc1NC1CC1.CC(=O)c1cnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)nc1NC1CC1.CC(=O)c1cnc(Nc2ccc(S(C)(=O)=O)cc2)nc1NC1CC1.CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(C)=O)c(NC4CC4)n3)cc2)CC1.CS(=O)(=O)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1.NC(=O)c1cnc(Nc2ccc3cn[nH]c3c2)nc1NC1CC1
• InChI: InChI=1S/C21H28N6O3S.C21H26N6O2.C20H26N6O3S.C16H19N5O3S.C16H18N4O3S.C15H15N7O/c1-3-31(29,30)27-12-10-26(11-13-27)18-8-6-17(7-9-18)24-21-22-14-19(15(2)28)20(25-21)23-16-4-5-16;1-13(28)18-11-23-21(26-20(18)24-15-4-5-15)25-16-6-8-17(9-7-16)27-10-2-3-14(12-27)19(22)29;1-14(27)18-13-21-20(24-19(18)22-15-3-4-15)23-16-5-7-17(8-6-16)25-9-11-26(12-10-25)30(2,28)29;1-25(23,24)12-7-5-11(6-8-12)20-16-18-9-13(14(17)22)15(21-16)19-10-3-2-4-10;1-10(21)14-9-17-16(20-15(14)18-11-3-4-11)19-12-5-7-13(8-6-12)24(2,22)23;16-13(23)11-7-17-15(21-14(11)19-9-3-4-9)20-10-2-1-8-6-18-22-12(8)5-10/h6-9,14,16H,3-5,10-13H2,1-2H3,(H2,22,23,24,25);6-9,11,14-15H,2-5,10,12H2,1H3,(H2,22,29)(H2,23,24,25,26);5-8,13,15H,3-4,9-12H2,1-2H3,(H2,21,22,23,24);5-10H,2-4H2,1H3,(H2,17,22)(H2,18,19,20,21);5-9,11H,3-4H2,1-2H3,(H2,17,18,19,20);1-2,5-7,9H,3-4H2,(H2,16,23)(H,18,22)(H2,17,19,20,21)
• InChIKey: KXLLPFDRIHGZME-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 678.03 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 39
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.75
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone?

The IUPAC name of 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone (CID 159268876) is 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone.

What is the SMILES notation for 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone?

The canonical SMILES for 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(Nc2ccc(N3CCCC(C(N)=O)C3)cc2)nc1NC1CC1.CC(=O)c1cnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)nc1NC1CC1.CC(=O)c1cnc(Nc2ccc(S(C)(=O)=O)cc2)nc1NC1CC1.CCS(=O)(=O)N1CCN(c2ccc(Nc3ncc(C(C)=O)c(NC4CC4)n3)cc2)CC1.CS(=O)(=O)c1ccc(Nc2ncc(C(N)=O)c(NC3CCC3)n2)cc1.NC(=O)c1cnc(Nc2ccc3cn[nH]c3c2)nc1NC1CC1.

What is the InChIKey of 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone?

The InChIKey is KXLLPFDRIHGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3S.C21H26N6O2.C20H26N6O3S.C16H19N5O3S.C16H18N4O3S.C15H15N7O/c1-3-31(29,30)27-12-10-26(11-13-27)18-8-6-17(7-9-18)24-21-22-14-19(15(2)28)20(25-21)23-16-4-5-16;1-13(28)18-11-23-21(26-20(18)24-15-4-5-15)25-16-6-8-17(9-7-16)27-10-2-3-14(12-27)19(22)29;1-14(27)18-13-21-20(24-19(18)22-15-3-4-15)23-16-5-7-17(8-6-16)25-9-11-26(12-10-25)30(2,28)29;1-25(23,24)12-7-5-11(6-8-12)20-16-18-9-13(14(17)22)15(21-16)19-10-3-2-4-10;1-10(21)14-9-17-16(20-15(14)18-11-3-4-11)19-12-5-7-13(8-6-12)24(2,22)23;16-13(23)11-7-17-15(21-14(11)19-9-3-4-9)20-10-2-1-8-6-18-22-12(8)5-10/h6-9,14,16H,3-5,10-13H2,1-2H3,(H2,22,23,24,25);6-9,11,14-15H,2-5,10,12H2,1H3,(H2,22,29)(H2,23,24,25,26);5-8,13,15H,3-4,9-12H2,1-2H3,(H2,21,22,23,24);5-10H,2-4H2,1H3,(H2,17,22)(H2,18,19,20,21);5-9,11H,3-4H2,1-2H3,(H2,17,18,19,20);1-2,5-7,9H,3-4H2,(H2,16,23)(H,18,22)(H2,17,19,20,21).

What are the key properties of 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone?

1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone has a molecular weight of 2286.75 g/mol, XLogP of 13.10, 39 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-acetyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]phenyl]piperidine-3-carboxamide;4-(cyclobutylamino)-2-(4-methylsulfonylanilino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone;4-(cyclopropylamino)-2-(1H-indazol-6-ylamino)pyrimidine-5-carboxamide;1-[4-(cyclopropylamino)-2-(4-methylsulfonylanilino)pyrimidin-5-yl]ethanone;1-[4-(cyclopropylamino)-2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 159268876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).