6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one

C125H128Cl6N28O18 — CID 167678293

About 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one

6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one (PubChem CID 167678293) has the molecular formula C125H128Cl6N28O18 and a molecular weight of 2523.29 g/mol. Its IUPAC name is 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one.

Molecular Properties

• Compound Name: 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one
• PubChem CID: 167678293
• Molecular Formula: C125H128Cl6N28O18
• Molecular Weight: 2523.29 g/mol
• Exact Mass: 2518.81
• IUPAC Name: 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one
• SMILES: C#Cc1ncc(Cl)c(Nc2ccc3c(c2)cc(OCC(C)=O)c(=O)n3C)n1.CC(=O)COc1cc2cc(Nc3nc(N4CC(O)C4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCC(C)C4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCCC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)COC1=Cc2cc(Nc3nc(N(C)C)ncc3Cl)ccc2CC1=O.Cn1c(=O)c(OC2CCC2)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21
• InChI: InChI=1S/C23H26ClN5O2.C22H24ClN5O3.C21H22ClN5O3.C20H20ClN5O4.C20H21ClN4O3.C19H15ClN4O3/c1-28-19-9-8-16(12-15(19)13-20(22(28)30)31-17-6-5-7-17)26-21-18(24)14-25-23(27-21)29-10-3-2-4-11-29;1-13-6-7-28(11-13)22-24-10-17(23)20(26-22)25-16-4-5-18-15(8-16)9-19(21(30)27(18)3)31-12-14(2)29;1-13(28)12-30-18-10-14-9-15(5-6-17(14)26(2)20(18)29)24-19-16(22)11-23-21(25-19)27-7-3-4-8-27;1-11(27)10-30-17-6-12-5-13(3-4-16(12)25(2)19(17)29)23-18-15(21)7-22-20(24-18)26-8-14(28)9-26;1-4-15(26)11-28-18-9-13-7-14(6-5-12(13)8-17(18)27)23-19-16(21)10-22-20(24-19)25(2)3;1-4-17-21-9-14(20)18(23-17)22-13-5-6-15-12(7-13)8-16(19(26)24(15)3)27-10-11(2)25/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,25,26,27);4-5,8-10,13H,6-7,11-12H2,1-3H3,(H,24,25,26);5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,23,24,25);3-7,14,28H,8-10H2,1-2H3,(H,22,23,24);5-7,9-10H,4,8,11H2,1-3H3,(H,22,23,24);1,5-9H,10H2,2-3H3,(H,21,22,23)
• InChIKey: VDLQHAQDRAJGDM-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 531.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.29
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one?

The IUPAC name of 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one (CID 167678293) is 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one.

What is the SMILES notation for 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one?

The canonical SMILES for 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one is C#Cc1ncc(Cl)c(Nc2ccc3c(c2)cc(OCC(C)=O)c(=O)n3C)n1.CC(=O)COc1cc2cc(Nc3nc(N4CC(O)C4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCC(C)C4)ncc3Cl)ccc2n(C)c1=O.CC(=O)COc1cc2cc(Nc3nc(N4CCCC4)ncc3Cl)ccc2n(C)c1=O.CCC(=O)COC1=Cc2cc(Nc3nc(N(C)C)ncc3Cl)ccc2CC1=O.Cn1c(=O)c(OC2CCC2)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21.

What is the InChIKey of 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one?

The InChIKey is VDLQHAQDRAJGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2.C22H24ClN5O3.C21H22ClN5O3.C20H20ClN5O4.C20H21ClN4O3.C19H15ClN4O3/c1-28-19-9-8-16(12-15(19)13-20(22(28)30)31-17-6-5-7-17)26-21-18(24)14-25-23(27-21)29-10-3-2-4-11-29;1-13-6-7-28(11-13)22-24-10-17(23)20(26-22)25-16-4-5-18-15(8-16)9-19(21(30)27(18)3)31-12-14(2)29;1-13(28)12-30-18-10-14-9-15(5-6-17(14)26(2)20(18)29)24-19-16(22)11-23-21(25-19)27-7-3-4-8-27;1-11(27)10-30-17-6-12-5-13(3-4-16(12)25(2)19(17)29)23-18-15(21)7-22-20(24-18)26-8-14(28)9-26;1-4-15(26)11-28-18-9-13-7-14(6-5-12(13)8-17(18)27)23-19-16(21)10-22-20(24-19)25(2)3;1-4-17-21-9-14(20)18(23-17)22-13-5-6-15-12(7-13)8-16(19(26)24(15)3)27-10-11(2)25/h8-9,12-14,17H,2-7,10-11H2,1H3,(H,25,26,27);4-5,8-10,13H,6-7,11-12H2,1-3H3,(H,24,25,26);5-6,9-11H,3-4,7-8,12H2,1-2H3,(H,23,24,25);3-7,14,28H,8-10H2,1-2H3,(H,22,23,24);5-7,9-10H,4,8,11H2,1-3H3,(H,22,23,24);1,5-9H,10H2,2-3H3,(H,21,22,23).

What are the key properties of 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one?

6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one has a molecular weight of 2523.29 g/mol, XLogP of 19.43, 35 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino]-3-(2-oxobutoxy)-1H-naphthalen-2-one;6-[(5-chloro-2-ethynylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[[5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-cyclobutyloxy-1-methylquinolin-2-one;6-[(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2-oxopropoxy)quinolin-2-one is sourced from PubChem (CID 167678293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).