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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine

C103H112Cl9N21O4S2 — CID 160734439

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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine (PubChem CID 160734439) has the molecular formula C103H112Cl9N21O4S2 and a molecular weight of 2091.38 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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine
• PubChem CID: 160734439
• Molecular Formula: C103H112Cl9N21O4S2
• Molecular Weight: 2091.38 g/mol
• Exact Mass: 2085.58
• 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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine
• SMILES: CC1CCN(Cc2cccc(CCc3cc(-c4cccc(Cl)c4Cl)nc(N)n3)c2)CC1.C[C@@H]1[C@H]2C[C@@H](C[C@H]1Nc1cc(-c3cccc(Cl)c3Cl)nc(N)n1)C2(C)C.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(NC23CC4CC(CC(C4)C2)C3)cc(-c2cccc(Cl)c2Cl)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2cccc(Cl)c2Cl)n1
• InChI: InChI=1S/C25H28Cl2N4.C20H22Cl2N4.C20H24Cl2N4.C20H21ClN4O2S.C18H17Cl2N5O2S/c1-17-10-12-31(13-11-17)16-19-5-2-4-18(14-19)8-9-20-15-23(30-25(28)29-20)21-6-3-7-22(26)24(21)27;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;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/h2-7,14-15,17H,8-13,16H2,1H3,(H2,28,29,30);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);1-7,10H,8-9H2,(H2,22,26,27)(H3,21,23,24,25)/t;;10-,11+,13-,15-;;/m..1../s1
• InChIKey: RUTNWPMMVYWFBF-UCIWENIPSA-N
• XLogP: 23.82
• TPSA: 418.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.38
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine (CID 160734439) 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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine is CC1CCN(Cc2cccc(CCc3cc(-c4cccc(Cl)c4Cl)nc(N)n3)c2)CC1.C[C@@H]1[C@H]2C[C@@H](C[C@H]1Nc1cc(-c3cccc(Cl)c3Cl)nc(N)n1)C2(C)C.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(NC23CC4CC(CC(C4)C2)C3)cc(-c2cccc(Cl)c2Cl)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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine?

The InChIKey is RUTNWPMMVYWFBF-UCIWENIPSA-N. The full InChI is InChI=1S/C25H28Cl2N4.C20H22Cl2N4.C20H24Cl2N4.C20H21ClN4O2S.C18H17Cl2N5O2S/c1-17-10-12-31(13-11-17)16-19-5-2-4-18(14-19)8-9-20-15-23(30-25(28)29-20)21-6-3-7-22(26)24(21)27;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;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/h2-7,14-15,17H,8-13,16H2,1H3,(H2,28,29,30);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);1-7,10H,8-9H2,(H2,22,26,27)(H3,21,23,24,25)/t;;10-,11+,13-,15-;;/m..1../s1.

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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine has a molecular weight of 2091.38 g/mol, XLogP of 23.82, 24 rotatable bonds, 10 hydrogen bond donors, and 23 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;4-(2,3-dichlorophenyl)-6-[2-[3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethyl]pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160734439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).