4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine

C131H159Cl2N31O14S5 — CID 160751387

About 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine

4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine (PubChem CID 160751387) has the molecular formula C131H159Cl2N31O14S5 and a molecular weight of 2623.16 g/mol. Its IUPAC name is 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine
• PubChem CID: 160751387
• Molecular Formula: C131H159Cl2N31O14S5
• Molecular Weight: 2623.16 g/mol
• Exact Mass: 2620.07
• IUPAC Name: 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine
• SMILES: CCS(=O)(=O)c1ccc(NCCCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(NCCCNc2ccc(C(N)=O)cc2)nc(N)n1.Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1ccc(C(=O)N2CC=C(c3cc(CCCc4ccc(S(N)(=O)=O)cc4)nc(N)n3)CC2)cc1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(C2=CCN(C(=O)C3CCCC3)CC2)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(C2=CCN(C(=O)CC3CCCC3)CC2)n1
• InChI: InChI=1S/C26H29N5O3S.C25H33N5O3S.C24H31N5O3S.C22H26ClN5O2S.C21H23ClN6O.C13H17N5O2S/c1-18-5-9-21(10-6-18)25(32)31-15-13-20(14-16-31)24-17-22(29-26(27)30-24)4-2-3-19-7-11-23(12-8-19)35(28,33)34;26-25-28-21(7-3-6-18-8-10-22(11-9-18)34(27,32)33)17-23(29-25)20-12-14-30(15-13-20)24(31)16-19-4-1-2-5-19;25-24-27-20(7-3-4-17-8-10-21(11-9-17)33(26,31)32)16-22(28-24)18-12-14-29(15-13-18)23(30)19-5-1-2-6-19;1-3-31(29,30)17-10-8-16(9-11-17)25-12-5-13-26-21-14-20(27-22(24)28-21)18-6-4-7-19(23)15(18)2;1-13-16(4-2-5-17(13)22)18-12-19(28-21(24)27-18)26-11-3-10-25-15-8-6-14(7-9-15)20(23)29;1-9-8-12(18-13(14)17-9)16-7-6-10-2-4-11(5-3-10)21(15,19)20/h5-13,17H,2-4,14-16H2,1H3,(H2,27,29,30)(H2,28,33,34);8-12,17,19H,1-7,13-16H2,(H2,26,28,29)(H2,27,32,33);8-12,16,19H,1-7,13-15H2,(H2,25,27,28)(H2,26,31,32);4,6-11,14,25H,3,5,12-13H2,1-2H3,(H3,24,26,27,28);2,4-9,12,25H,3,10-11H2,1H3,(H2,23,29)(H3,24,26,27,28);2-5,8H,6-7H2,1H3,(H2,15,19,20)(H3,14,16,17,18)
• InChIKey: RWWFEWVRHPGECC-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 749.75 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2623.16
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine (CID 160751387) is 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine is CCS(=O)(=O)c1ccc(NCCCNc2cc(-c3cccc(Cl)c3C)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(NCCCNc2ccc(C(N)=O)cc2)nc(N)n1.Cc1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1ccc(C(=O)N2CC=C(c3cc(CCCc4ccc(S(N)(=O)=O)cc4)nc(N)n3)CC2)cc1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(C2=CCN(C(=O)C3CCCC3)CC2)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(C2=CCN(C(=O)CC3CCCC3)CC2)n1.

What is the InChIKey of 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine?

The InChIKey is RWWFEWVRHPGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S.C25H33N5O3S.C24H31N5O3S.C22H26ClN5O2S.C21H23ClN6O.C13H17N5O2S/c1-18-5-9-21(10-6-18)25(32)31-15-13-20(14-16-31)24-17-22(29-26(27)30-24)4-2-3-19-7-11-23(12-8-19)35(28,33)34;26-25-28-21(7-3-6-18-8-10-22(11-9-18)34(27,32)33)17-23(29-25)20-12-14-30(15-13-20)24(31)16-19-4-1-2-5-19;25-24-27-20(7-3-4-17-8-10-21(11-9-17)33(26,31)32)16-22(28-24)18-12-14-29(15-13-18)23(30)19-5-1-2-6-19;1-3-31(29,30)17-10-8-16(9-11-17)25-12-5-13-26-21-14-20(27-22(24)28-21)18-6-4-7-19(23)15(18)2;1-13-16(4-2-5-17(13)22)18-12-19(28-21(24)27-18)26-11-3-10-25-15-8-6-14(7-9-15)20(23)29;1-9-8-12(18-13(14)17-9)16-7-6-10-2-4-11(5-3-10)21(15,19)20/h5-13,17H,2-4,14-16H2,1H3,(H2,27,29,30)(H2,28,33,34);8-12,17,19H,1-7,13-16H2,(H2,26,28,29)(H2,27,32,33);8-12,16,19H,1-7,13-15H2,(H2,25,27,28)(H2,26,31,32);4,6-11,14,25H,3,5,12-13H2,1-2H3,(H3,24,26,27,28);2,4-9,12,25H,3,10-11H2,1H3,(H2,23,29)(H3,24,26,27,28);2-5,8H,6-7H2,1H3,(H2,15,19,20)(H3,14,16,17,18).

What are the key properties of 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine?

4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine has a molecular weight of 2623.16 g/mol, XLogP of 17.65, 44 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]benzamide;4-[3-[2-amino-6-[1-(cyclopentanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(2-cyclopentylacetyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[3-[2-amino-6-[1-(4-methylbenzoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[(2-amino-6-methylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-ethylsulfonylanilino)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160751387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).