4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine

C121H131Cl8N25O5S2 — CID 159911301

About 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine

4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine (PubChem CID 159911301) has the molecular formula C121H131Cl8N25O5S2 and a molecular weight of 2363.31 g/mol. Its IUPAC name is 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine
• PubChem CID: 159911301
• Molecular Formula: C121H131Cl8N25O5S2
• Molecular Weight: 2363.31 g/mol
• Exact Mass: 2357.77
• IUPAC Name: 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine
• SMILES: CC1C(Nc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)CC2CC1C2(C)C.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1cccc(-c2cc(CCC3(c4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Nc1nc(NC23CC4CC(CC(C4)C2)C3)cc(-c2cccc(Cl)c2Cl)n1.Nc1nc(NCCCN2CCCC2=O)cc(-c2cccc3c2C=CC3)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2cccc(Cl)c2Cl)n1
• InChI: InChI=1S/C23H24ClN3.C20H22Cl2N4.C20H24Cl2N4.C20H21ClN4O2S.C20H23N5O.C18H17Cl2N5O2S/c1-15-4-3-5-20(16(15)2)21-14-19(26-22(25)27-21)10-11-23(12-13-23)17-6-8-18(24)9-7-17;21-15-3-1-2-14(18(15)22)16-7-17(25-19(23)24-16)26-20-8-11-4-12(9-20)6-13(5-11)10-20;1-10-13-7-11(20(13,2)3)8-15(10)24-17-9-16(25-19(23)26-17)12-5-4-6-14(21)18(12)22;1-13-17(6-3-7-18(13)21)19-12-15(24-20(22)25-19)5-2-4-14-8-10-16(11-9-14)28(23,26)27;21-20-23-17(16-8-2-6-14-5-1-7-15(14)16)13-18(24-20)22-10-4-12-25-11-3-9-19(25)26;19-14-3-1-2-13(17(14)20)15-10-16(25-18(21)24-15)23-9-8-11-4-6-12(7-5-11)28(22,26)27/h3-9,14H,10-13H2,1-2H3,(H2,25,26,27);1-3,7,11-13H,4-6,8-10H2,(H3,23,24,25,26);4-6,9-11,13,15H,7-8H2,1-3H3,(H3,23,24,25,26);3,6-12H,2,4-5H2,1H3,(H2,22,24,25)(H2,23,26,27);1-2,6-8,13H,3-5,9-12H2,(H3,21,22,23,24);1-7,10H,8-9H2,(H2,22,26,27)(H3,21,23,24,25)
• InChIKey: NXFFCLVNHJRLSA-UHFFFAOYSA-N
• XLogP: 26.15
• TPSA: 499.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2363.31
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine (CID 159911301) is 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine is CC1C(Nc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)CC2CC1C2(C)C.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1cccc(-c2cc(CCC3(c4ccc(Cl)cc4)CC3)nc(N)n2)c1C.Nc1nc(NC23CC4CC(CC(C4)C2)C3)cc(-c2cccc(Cl)c2Cl)n1.Nc1nc(NCCCN2CCCC2=O)cc(-c2cccc3c2C=CC3)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2cccc(Cl)c2Cl)n1.

What is the InChIKey of 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine?

The InChIKey is NXFFCLVNHJRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3.C20H22Cl2N4.C20H24Cl2N4.C20H21ClN4O2S.C20H23N5O.C18H17Cl2N5O2S/c1-15-4-3-5-20(16(15)2)21-14-19(26-22(25)27-21)10-11-23(12-13-23)17-6-8-18(24)9-7-17;21-15-3-1-2-14(18(15)22)16-7-17(25-19(23)24-16)26-20-8-11-4-12(9-20)6-13(5-11)10-20;1-10-13-7-11(20(13,2)3)8-15(10)24-17-9-16(25-19(23)26-17)12-5-4-6-14(21)18(12)22;1-13-17(6-3-7-18(13)21)19-12-15(24-20(22)25-19)5-2-4-14-8-10-16(11-9-14)28(23,26)27;21-20-23-17(16-8-2-6-14-5-1-7-15(14)16)13-18(24-20)22-10-4-12-25-11-3-9-19(25)26;19-14-3-1-2-13(17(14)20)15-10-16(25-18(21)24-15)23-9-8-11-4-6-12(7-5-11)28(22,26)27/h3-9,14H,10-13H2,1-2H3,(H2,25,26,27);1-3,7,11-13H,4-6,8-10H2,(H3,23,24,25,26);4-6,9-11,13,15H,7-8H2,1-3H3,(H3,23,24,25,26);3,6-12H,2,4-5H2,1H3,(H2,22,24,25)(H2,23,26,27);1-2,6-8,13H,3-5,9-12H2,(H3,21,22,23,24);1-7,10H,8-9H2,(H2,22,26,27)(H3,21,23,24,25).

What are the key properties of 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine?

4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine has a molecular weight of 2363.31 g/mol, XLogP of 26.15, 29 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1-adamantyl)-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;1-[3-[[2-amino-6-(1H-inden-4-yl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;4-[2-[1-(4-chlorophenyl)cyclopropyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159911301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).