4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide

C73H88Cl2N38O8S4 — CID 157312389

About 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide

4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 157312389) has the molecular formula C73H88Cl2N38O8S4 and a molecular weight of 1824.94 g/mol. Its IUPAC name is 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 157312389
• Molecular Formula: C73H88Cl2N38O8S4
• Molecular Weight: 1824.94 g/mol
• Exact Mass: 1822.59
• IUPAC Name: 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide
• SMILES: CNS(=O)(=O)Cc1ccc(Nc2nc(N)n(-c3cc(NC4CCNC4)ncn3)n2)cc1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NC2CCCC(N)C2)ncn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NC2CCCCC2)ncn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NCc2cccc(Cl)c2Cl)ncn1
• InChI: InChI=1S/C19H17Cl2N9O2S.2C18H24N10O2S.C18H23N9O2S/c20-14-3-1-2-11(17(14)21)9-24-15-8-16(26-10-25-15)30-18(22)28-19(29-30)27-12-4-6-13(7-5-12)33(23,31)32;1-20-31(29,30)10-12-2-4-13(5-3-12)25-18-26-17(19)28(27-18)16-8-15(22-11-23-16)24-14-6-7-21-9-14;19-11-2-1-3-13(8-11)24-15-9-16(23-10-22-15)28-17(20)26-18(27-28)25-12-4-6-14(7-5-12)31(21,29)30;19-17-25-18(24-13-6-8-14(9-7-13)30(20,28)29)26-27(17)16-10-15(21-11-22-16)23-12-4-2-1-3-5-12/h1-8,10H,9H2,(H2,23,31,32)(H,24,25,26)(H3,22,27,28,29);2-5,8,11,14,20-21H,6-7,9-10H2,1H3,(H,22,23,24)(H3,19,25,26,27);4-7,9-11,13H,1-3,8,19H2,(H2,21,29,30)(H,22,23,24)(H3,20,25,26,27);6-12H,1-5H2,(H2,20,28,29)(H,21,22,23)(H3,19,24,25,26)
• InChIKey: BDEQJZYEEFZKRN-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 690.98 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1824.94
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide?

The IUPAC name of 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 157312389) is 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(Nc2nc(N)n(-c3cc(NC4CCNC4)ncn3)n2)cc1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NC2CCCC(N)C2)ncn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NC2CCCCC2)ncn1.Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1cc(NCc2cccc(Cl)c2Cl)ncn1.

What is the InChIKey of 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide?

The InChIKey is BDEQJZYEEFZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N9O2S.2C18H24N10O2S.C18H23N9O2S/c20-14-3-1-2-11(17(14)21)9-24-15-8-16(26-10-25-15)30-18(22)28-19(29-30)27-12-4-6-13(7-5-12)33(23,31)32;1-20-31(29,30)10-12-2-4-13(5-3-12)25-18-26-17(19)28(27-18)16-8-15(22-11-23-16)24-14-6-7-21-9-14;19-11-2-1-3-13(8-11)24-15-9-16(23-10-22-15)28-17(20)26-18(27-28)25-12-4-6-14(7-5-12)31(21,29)30;19-17-25-18(24-13-6-8-14(9-7-13)30(20,28)29)26-27(17)16-10-15(21-11-22-16)23-12-4-2-1-3-5-12/h1-8,10H,9H2,(H2,23,31,32)(H,24,25,26)(H3,22,27,28,29);2-5,8,11,14,20-21H,6-7,9-10H2,1H3,(H,22,23,24)(H3,19,25,26,27);4-7,9-11,13H,1-3,8,19H2,(H2,21,29,30)(H,22,23,24)(H3,20,25,26,27);6-12H,1-5H2,(H2,20,28,29)(H,21,22,23)(H3,19,24,25,26).

What are the key properties of 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide?

4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 1824.94 g/mol, XLogP of 5.64, 27 rotatable bonds, 18 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-1-[6-[(3-aminocyclohexyl)amino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-(cyclohexylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;4-[[5-amino-1-[6-[(2,3-dichlorophenyl)methylamino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide;1-[4-[[5-amino-1-[6-(pyrrolidin-3-ylamino)pyrimidin-4-yl]-1,2,4-triazol-3-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157312389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).