6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride

C107H152B2Cl5F15N20O10S — CID 159002456

About 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride

6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride (PubChem CID 159002456) has the molecular formula C107H152B2Cl5F15N20O10S and a molecular weight of 2394.45 g/mol. Its IUPAC name is 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride.

Molecular Properties

• Compound Name: 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride
• PubChem CID: 159002456
• Molecular Formula: C107H152B2Cl5F15N20O10S
• Molecular Weight: 2394.45 g/mol
• Exact Mass: 2391.01
• IUPAC Name: 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC4CCC(F)(F)C4)nc(N4CCOCC4)n3)c2)C1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1C.Cl.Cl.Clc1cc(Cl)nc(N2CCOCC2)n1.FC(F)(F)C[C@@H]1CCNC1.FC1(F)CCC(Nc2cc(Cl)nc(N3CCOCC3)n2)C1.NC1CCC(F)(F)C1.S
• InChI: InChI=1S/C27H36F2N6O2.C20H28BF3N2O3.C15H19F3N2O.C13H20BNO2.C13H17ClF2N4O.C8H9Cl2N3O.C6H10F3N.C5H9F2N.2ClH.H2S/c1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(30-21-6-8-27(28,29)16-21)33-25(32-23)34-10-12-37-13-11-34;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-10-3-4-13(7-11(10)2)19-14(21)20-6-5-12(9-20)8-15(16,17)18;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;14-10-7-11(17-9-1-2-13(15,16)8-9)19-12(18-10)20-3-5-21-6-4-20;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;7-6(8,9)3-5-1-2-10-4-5;6-5(7)2-1-4(8)3-5;;;/h4-5,14-15,19,21H,3,6-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,21);6-8H,15H2,1-5H3;7,9H,1-6,8H2,(H,17,18,19);5H,1-4H2;5,10H,1-4H2;4H,1-3,8H2;2*1H;1H2/t19-,21?;14-;12-;;;;5-;;;;/m100...0..../s1
• InChIKey: BYVMZLDASXNHTM-VQOZRWPISA-N
• XLogP: 23.06
• TPSA: 336.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2394.45
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride?

The IUPAC name of 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride (CID 159002456) is 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride.

What is the SMILES notation for 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride?

The canonical SMILES for 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC4CCC(F)(F)C4)nc(N4CCOCC4)n3)c2)C1.Cc1ccc(N)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1C.Cl.Cl.Clc1cc(Cl)nc(N2CCOCC2)n1.FC(F)(F)C[C@@H]1CCNC1.FC1(F)CCC(Nc2cc(Cl)nc(N3CCOCC3)n2)C1.NC1CCC(F)(F)C1.S.

What is the InChIKey of 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride?

The InChIKey is BYVMZLDASXNHTM-VQOZRWPISA-N. The full InChI is InChI=1S/C27H36F2N6O2.C20H28BF3N2O3.C15H19F3N2O.C13H20BNO2.C13H17ClF2N4O.C8H9Cl2N3O.C6H10F3N.C5H9F2N.2ClH.H2S/c1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(30-21-6-8-27(28,29)16-21)33-25(32-23)34-10-12-37-13-11-34;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-10-3-4-13(7-11(10)2)19-14(21)20-6-5-12(9-20)8-15(16,17)18;1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14;14-10-7-11(17-9-1-2-13(15,16)8-9)19-12(18-10)20-3-5-21-6-4-20;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13;7-6(8,9)3-5-1-2-10-4-5;6-5(7)2-1-4(8)3-5;;;/h4-5,14-15,19,21H,3,6-13,16-17H2,1-2H3,(H,31,36)(H,30,32,33);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);3-4,7,12H,5-6,8-9H2,1-2H3,(H,19,21);6-8H,15H2,1-5H3;7,9H,1-6,8H2,(H,17,18,19);5H,1-4H2;5,10H,1-4H2;4H,1-3,8H2;2*1H;1H2/t19-,21?;14-;12-;;;;5-;;;;/m100...0..../s1.

What are the key properties of 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride?

6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride has a molecular weight of 2394.45 g/mol, XLogP of 23.06, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(3,3-difluorocyclopentyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[6-[(3,3-difluorocyclopentyl)amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(3S)-N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;sulfane;(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine;dihydrochloride is sourced from PubChem (CID 159002456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).