4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride

C74H103BCl3F9N16O9S — CID 160687344

About 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride

4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride (PubChem CID 160687344) has the molecular formula C74H103BCl3F9N16O9S and a molecular weight of 1680.96 g/mol. Its IUPAC name is 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride
• PubChem CID: 160687344
• Molecular Formula: C74H103BCl3F9N16O9S
• Molecular Weight: 1680.96 g/mol
• Exact Mass: 1678.68
• IUPAC Name: 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride
• SMILES: CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(NC4CCC(F)(F)C4)n3)c2)C1.CS(=O)(=O)c1nc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.FC1(F)CCC(Nc2nc(Cl)cc(N3CCOCC3)n2)C1.NC1CCC(F)(F)C1
• InChI: InChI=1S/C27H36F2N6O2.C20H28BF3N2O3.C13H17ClF2N4O.C9H12ClN3O3S.C5H9F2N.ClH/c1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(34-10-12-37-13-11-34)33-25(32-23)30-21-6-8-27(28,29)16-21;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;14-10-7-11(20-3-5-21-6-4-20)19-12(18-10)17-9-1-2-13(15,16)8-9;1-17(14,15)9-11-7(10)6-8(12-9)13-2-4-16-5-3-13;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);7,9H,1-6,8H2,(H,17,18,19);6H,2-5H2,1H3;4H,1-3,8H2;1H/t19-,21?;14-;;;;/m10..../s1
• InChIKey: MORRGPWPUWUBPC-HFJTVFJQSA-N
• XLogP: 13.74
• TPSA: 282.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1680.96
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride?

The IUPAC name of 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride (CID 160687344) is 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride.

What is the SMILES notation for 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride?

The canonical SMILES for 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride is CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)nc(NC4CCC(F)(F)C4)n3)c2)C1.CS(=O)(=O)c1nc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.FC1(F)CCC(Nc2nc(Cl)cc(N3CCOCC3)n2)C1.NC1CCC(F)(F)C1.

What is the InChIKey of 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride?

The InChIKey is MORRGPWPUWUBPC-HFJTVFJQSA-N. The full InChI is InChI=1S/C27H36F2N6O2.C20H28BF3N2O3.C13H17ClF2N4O.C9H12ClN3O3S.C5H9F2N.ClH/c1-3-19-7-9-35(17-19)26(36)31-20-5-4-18(2)22(14-20)23-15-24(34-10-12-37-13-11-34)33-25(32-23)30-21-6-8-27(28,29)16-21;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;14-10-7-11(20-3-5-21-6-4-20)19-12(18-10)17-9-1-2-13(15,16)8-9;1-17(14,15)9-11-7(10)6-8(12-9)13-2-4-16-5-3-13;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);7,9H,1-6,8H2,(H,17,18,19);6H,2-5H2,1H3;4H,1-3,8H2;1H/t19-,21?;14-;;;;/m10..../s1.

What are the key properties of 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride?

4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride has a molecular weight of 1680.96 g/mol, XLogP of 13.74, 14 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(3,3-difluorocyclopentyl)-6-morpholin-4-ylpyrimidin-2-amine;4-(6-chloro-2-methylsulfonylpyrimidin-4-yl)morpholine;3,3-difluorocyclopentan-1-amine;(3R)-N-[3-[2-[(3,3-difluorocyclopentyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(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;hydrochloride is sourced from PubChem (CID 160687344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).