4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide

C122H119Cl10F2N27O8S2 — CID 162043816

About 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide (PubChem CID 162043816) has the molecular formula C122H119Cl10F2N27O8S2 and a molecular weight of 2548.13 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide
• PubChem CID: 162043816
• Molecular Formula: C122H119Cl10F2N27O8S2
• Molecular Weight: 2548.13 g/mol
• Exact Mass: 2541.60
• IUPAC Name: 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide
• SMILES: Cc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)cc(Cl)c(Cl)c1Cl.Cc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(F)ccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1F
• InChI: InChI=1S/C21H20Cl2N4O.C21H22FN5O.C20H18Cl3N5O.C20H19Cl2N5O.C20H20Cl2N4O2S.C20H20ClFN4O2S/c1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-13(2)17(22)8-7-16(12)18-11-19(27-21(24)26-18)25-10-9-14-3-5-15(6-4-14)20(23)28;1-10-13(8-14(21)18(23)17(10)22)15-9-16(28-20(25)27-15)26-7-6-11-2-4-12(5-3-11)19(24)29;1-11-14(6-7-15(21)18(11)22)16-10-17(27-20(24)26-16)25-9-8-12-2-4-13(5-3-12)19(23)28;1-12-17(9-14(21)10-18(12)22)19-11-15(25-20(23)26-19)4-2-3-13-5-7-16(8-6-13)29(24,27)28;1-12-9-14(21)10-17(19(12)22)18-11-15(25-20(23)26-18)4-2-3-13-5-7-16(8-6-13)29(24,27)28/h5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);3-8,11H,9-10H2,1-2H3,(H2,23,28)(H3,24,25,26,27);2-5,8-9H,6-7H2,1H3,(H2,24,29)(H3,25,26,27,28);2-7,10H,8-9H2,1H3,(H2,23,28)(H3,24,25,26,27);2*5-11H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28)
• InChIKey: YXQBHFFBJZDCEL-UHFFFAOYSA-N
• XLogP: 24.51
• TPSA: 639.57 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2548.13
LogP ≤ 5	24.51
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide?

The IUPAC name of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide (CID 162043816) is 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide.

What is the SMILES notation for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide?

The canonical SMILES for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide is Cc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)cc(Cl)c(Cl)c1Cl.Cc1c(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1c(Cl)cc(Cl)cc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(F)ccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C.Cc1cc(Cl)cc(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1F.

What is the InChIKey of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide?

The InChIKey is YXQBHFFBJZDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O.C21H22FN5O.C20H18Cl3N5O.C20H19Cl2N5O.C20H20Cl2N4O2S.C20H20ClFN4O2S/c1-12-17(9-15(22)10-18(12)23)19-11-16(26-21(25)27-19)4-2-3-13-5-7-14(8-6-13)20(24)28;1-12-13(2)17(22)8-7-16(12)18-11-19(27-21(24)26-18)25-10-9-14-3-5-15(6-4-14)20(23)28;1-10-13(8-14(21)18(23)17(10)22)15-9-16(28-20(25)27-15)26-7-6-11-2-4-12(5-3-11)19(24)29;1-11-14(6-7-15(21)18(11)22)16-10-17(27-20(24)26-16)25-9-8-12-2-4-13(5-3-12)19(23)28;1-12-17(9-14(21)10-18(12)22)19-11-15(25-20(23)26-19)4-2-3-13-5-7-16(8-6-13)29(24,27)28;1-12-9-14(21)10-17(19(12)22)18-11-15(25-20(23)26-18)4-2-3-13-5-7-16(8-6-13)29(24,27)28/h5-11H,2-4H2,1H3,(H2,24,28)(H2,25,26,27);3-8,11H,9-10H2,1-2H3,(H2,23,28)(H3,24,25,26,27);2-5,8-9H,6-7H2,1H3,(H2,24,29)(H3,25,26,27,28);2-7,10H,8-9H2,1H3,(H2,23,28)(H3,24,25,26,27);2*5-11H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28).

What are the key properties of 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide?

4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide has a molecular weight of 2548.13 g/mol, XLogP of 24.51, 36 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-amino-6-(5-chloro-2-fluoro-3-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzamide;4-[3-[2-amino-6-(3,5-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(3,4,5-trichloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 162043816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).