2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

C105H124Cl5FN22O11S4 — CID 157112023

About 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine

2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 157112023) has the molecular formula C105H124Cl5FN22O11S4 and a molecular weight of 2194.82 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 157112023
• Molecular Formula: C105H124Cl5FN22O11S4
• Molecular Weight: 2194.82 g/mol
• Exact Mass: 2190.71
• IUPAC Name: 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
• SMILES: CC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1.CC(C)Oc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.CC(C)Oc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N2CCCC2)n1.Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c2cc(Cl)ccc2n1
• InChI: InChI=1S/C28H35ClFN5O3S.C28H35ClN6O3S.C27H34ClN5O3S.C22H20Cl2N6O2S/c1-17(2)38-25-14-20(19-10-12-35(5)13-11-19)6-8-23(25)33-28-31-16-22(29)27(34-28)32-24-15-21(30)7-9-26(24)39(36,37)18(3)4;1-19(2)38-25-17-21(20-11-13-30-14-12-20)9-10-23(25)33-28-31-18-22(29)27(34-28)32-24-7-3-4-8-26(24)39(36,37)35-15-5-6-16-35;1-17(2)36-24-15-20(19-11-13-29-14-12-19)9-10-22(24)32-27-30-16-21(28)26(33-27)31-23-7-5-6-8-25(23)37(34,35)18(3)4;1-13-10-19(15-11-14(23)8-9-17(15)26-13)28-22-25-12-16(24)21(29-22)27-18-6-4-5-7-20(18)33(31,32)30(2)3/h6-9,14-19H,10-13H2,1-5H3,(H2,31,32,33,34);3-4,7-10,17-20,30H,5-6,11-16H2,1-2H3,(H2,31,32,33,34);5-10,15-19,29H,11-14H2,1-4H3,(H2,30,31,32,33);4-12H,1-3H3,(H2,25,26,27,28,29)
• InChIKey: AGYSVQVJCFKVBE-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 410.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2194.82
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 157112023) is 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is CC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Nc2cc(F)ccc2S(=O)(=O)C(C)C)n1.CC(C)Oc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1.CC(C)Oc1cc(C2CCNCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N2CCCC2)n1.Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)c2cc(Cl)ccc2n1.

What is the InChIKey of 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?

The InChIKey is AGYSVQVJCFKVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClFN5O3S.C28H35ClN6O3S.C27H34ClN5O3S.C22H20Cl2N6O2S/c1-17(2)38-25-14-20(19-10-12-35(5)13-11-19)6-8-23(25)33-28-31-16-22(29)27(34-28)32-24-15-21(30)7-9-26(24)39(36,37)18(3)4;1-19(2)38-25-17-21(20-11-13-30-14-12-20)9-10-23(25)33-28-31-18-22(29)27(34-28)32-24-7-3-4-8-26(24)39(36,37)35-15-5-6-16-35;1-17(2)36-24-15-20(19-11-13-29-14-12-19)9-10-22(24)32-27-30-16-21(28)26(33-27)31-23-7-5-6-8-25(23)37(34,35)18(3)4;1-13-10-19(15-11-14(23)8-9-17(15)26-13)28-22-25-12-16(24)21(29-22)27-18-6-4-5-7-20(18)33(31,32)30(2)3/h6-9,14-19H,10-13H2,1-5H3,(H2,31,32,33,34);3-4,7-10,17-20,30H,5-6,11-16H2,1-2H3,(H2,31,32,33,34);5-10,15-19,29H,11-14H2,1-4H3,(H2,30,31,32,33);4-12H,1-3H3,(H2,25,26,27,28,29).

What are the key properties of 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine?

2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2194.82 g/mol, XLogP of 23.62, 33 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-2-[(6-chloro-2-methylquinolin-4-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide;5-chloro-4-N-(5-fluoro-2-propan-2-ylsulfonylphenyl)-2-N-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;5-chloro-2-N-(4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157112023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).