4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine

C103H120ClN29O8S2 — CID 158757722

About 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine

4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 158757722) has the molecular formula C103H120ClN29O8S2 and a molecular weight of 1991.87 g/mol. Its IUPAC name is 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 158757722
• Molecular Formula: C103H120ClN29O8S2
• Molecular Weight: 1991.87 g/mol
• Exact Mass: 1989.90
• IUPAC Name: 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine
• SMILES: CC(=O)N1CC=C(c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)CC1.CC(C)C(=O)N1CC=C(c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)CC1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1cccc(-c2cc(NCCCc3nc(N)nc4nc[nH]c34)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C
• InChI: InChI=1S/C22H29N5O3S.C21H23N5O.C20H20ClN5O.C20H23N9.C20H25N5O3S/c1-15(2)21(28)27-12-10-17(11-13-27)20-14-18(25-22(23)26-20)5-3-4-16-6-8-19(9-7-16)31(24,29)30;1-13-4-3-5-17(14(13)2)18-12-19(26-21(23)25-18)24-11-10-15-6-8-16(9-7-15)20(22)27;1-12-15(3-2-4-16(12)21)17-11-18(26-20(23)25-17)24-10-9-13-5-7-14(8-6-13)19(22)27;1-11-5-3-6-13(12(11)2)15-9-16(28-19(21)27-15)23-8-4-7-14-17-18(25-10-24-17)29-20(22)26-14;1-14(26)25-11-9-16(10-12-25)19-13-17(23-20(21)24-19)4-2-3-15-5-7-18(8-6-15)29(22,27)28/h6-10,14-15H,3-5,11-13H2,1-2H3,(H2,23,25,26)(H2,24,29,30);3-9,12H,10-11H2,1-2H3,(H2,22,27)(H3,23,24,25,26);2-8,11H,9-10H2,1H3,(H2,22,27)(H3,23,24,25,26);3,5-6,9-10H,4,7-8H2,1-2H3,(H3,21,23,27,28)(H3,22,24,25,26,29);5-9,13H,2-4,10-12H2,1H3,(H2,21,23,24)(H2,22,27,28)
• InChIKey: IOGVQAKOABEBHV-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 622.69 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1991.87
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine (CID 158757722) is 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine is CC(=O)N1CC=C(c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)CC1.CC(C)C(=O)N1CC=C(c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)CC1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2)nc(N)n1.Cc1cccc(-c2cc(NCCCc3nc(N)nc4nc[nH]c34)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3ccc(C(N)=O)cc3)nc(N)n2)c1C.

What is the InChIKey of 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?

The InChIKey is IOGVQAKOABEBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S.C21H23N5O.C20H20ClN5O.C20H23N9.C20H25N5O3S/c1-15(2)21(28)27-12-10-17(11-13-27)20-14-18(25-22(23)26-20)5-3-4-16-6-8-19(9-7-16)31(24,29)30;1-13-4-3-5-17(14(13)2)18-12-19(26-21(23)25-18)24-11-10-15-6-8-16(9-7-15)20(22)27;1-12-15(3-2-4-16(12)21)17-11-18(26-20(23)25-17)24-10-9-13-5-7-14(8-6-13)19(22)27;1-11-5-3-6-13(12(11)2)15-9-16(28-19(21)27-15)23-8-4-7-14-17-18(25-10-24-17)29-20(22)26-14;1-14(26)25-11-9-16(10-12-25)19-13-17(23-20(21)24-19)4-2-3-15-5-7-18(8-6-15)29(22,27)28/h6-10,14-15H,3-5,11-13H2,1-2H3,(H2,23,25,26)(H2,24,29,30);3-9,12H,10-11H2,1-2H3,(H2,22,27)(H3,23,24,25,26);2-8,11H,9-10H2,1H3,(H2,22,27)(H3,23,24,25,26);3,5-6,9-10H,4,7-8H2,1-2H3,(H3,21,23,27,28)(H3,22,24,25,26,29);5-9,13H,2-4,10-12H2,1H3,(H2,21,23,24)(H2,22,27,28).

What are the key properties of 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine?

4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1991.87 g/mol, XLogP of 12.84, 31 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-aminopyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide;4-[3-[2-amino-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]pyrimidin-4-yl]propyl]benzenesulfonamide;4-N-[3-(2-amino-7H-purin-6-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158757722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).