4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate

C112H141ClF2N16O17 — CID 159060637

About 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate

4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate (PubChem CID 159060637) has the molecular formula C112H141ClF2N16O17 and a molecular weight of 2056.90 g/mol. Its IUPAC name is 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

• Compound Name: 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate
• PubChem CID: 159060637
• Molecular Formula: C112H141ClF2N16O17
• Molecular Weight: 2056.90 g/mol
• Exact Mass: 2055.03
• IUPAC Name: 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate
• SMILES: COC(=O)[C@]1(C)CN(c2ccnc(C)n2)C[C@H]1c1ccc(OC)cc1.COC(=O)[C@]1(C)CNC[C@H]1c1ccc(OC)cc1.COC[C@@H]1C[C@@H](c2ccc(F)cc2N2CCC(C(=O)OC)CC2)CN1.COC[C@@H]1C[C@@H](c2ccc(F)cc2N2CCC(C(=O)OC)CC2)CN1C(=O)[C@]1(C)CN(c2ccnc(C)n2)C[C@H]1c1ccc(OC)cc1.COc1ccc([C@@H]2CN(c3ccnc(C)n3)C[C@@]2(C)C(=O)O)cc1.Cc1nccc(Cl)n1
• InChI: InChI=1S/C37H46FN5O5.C19H27FN2O3.C19H23N3O3.C18H21N3O3.C14H19NO3.C5H5ClN2/c1-24-39-15-12-34(40-24)42-21-32(25-6-9-30(47-4)10-7-25)37(2,23-42)36(45)43-20-27(18-29(43)22-46-3)31-11-8-28(38)19-33(31)41-16-13-26(14-17-41)35(44)48-5;1-24-12-16-9-14(11-21-16)17-4-3-15(20)10-18(17)22-7-5-13(6-8-22)19(23)25-2;1-13-20-10-9-17(21-13)22-11-16(19(2,12-22)18(23)25-4)14-5-7-15(24-3)8-6-14;1-12-19-9-8-16(20-12)21-10-15(18(2,11-21)17(22)23)13-4-6-14(24-3)7-5-13;1-14(13(16)18-3)9-15-8-12(14)10-4-6-11(17-2)7-5-10;1-4-7-3-2-5(6)8-4/h6-12,15,19,26-27,29,32H,13-14,16-18,20-23H2,1-5H3;3-4,10,13-14,16,21H,5-9,11-12H2,1-2H3;5-10,16H,11-12H2,1-4H3;4-9,15H,10-11H2,1-3H3,(H,22,23);4-7,12,15H,8-9H2,1-3H3;2-3H,1H3/t27-,29+,32+,37-;14-,16+;16-,19+;15-,18+;12-,14+;/m11000./s1
• InChIKey: JYKOYWJWTKWFNE-UQIMKQAESA-N
• XLogP: 15.34
• TPSA: 361.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2056.90
LogP ≤ 5	15.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate?

The IUPAC name of 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate (CID 159060637) is 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate.

What is the SMILES notation for 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate?

The canonical SMILES for 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate is COC(=O)[C@]1(C)CN(c2ccnc(C)n2)C[C@H]1c1ccc(OC)cc1.COC(=O)[C@]1(C)CNC[C@H]1c1ccc(OC)cc1.COC[C@@H]1C[C@@H](c2ccc(F)cc2N2CCC(C(=O)OC)CC2)CN1.COC[C@@H]1C[C@@H](c2ccc(F)cc2N2CCC(C(=O)OC)CC2)CN1C(=O)[C@]1(C)CN(c2ccnc(C)n2)C[C@H]1c1ccc(OC)cc1.COc1ccc([C@@H]2CN(c3ccnc(C)n3)C[C@@]2(C)C(=O)O)cc1.Cc1nccc(Cl)n1.

What is the InChIKey of 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate?

The InChIKey is JYKOYWJWTKWFNE-UQIMKQAESA-N. The full InChI is InChI=1S/C37H46FN5O5.C19H27FN2O3.C19H23N3O3.C18H21N3O3.C14H19NO3.C5H5ClN2/c1-24-39-15-12-34(40-24)42-21-32(25-6-9-30(47-4)10-7-25)37(2,23-42)36(45)43-20-27(18-29(43)22-46-3)31-11-8-28(38)19-33(31)41-16-13-26(14-17-41)35(44)48-5;1-24-12-16-9-14(11-21-16)17-4-3-15(20)10-18(17)22-7-5-13(6-8-22)19(23)25-2;1-13-20-10-9-17(21-13)22-11-16(19(2,12-22)18(23)25-4)14-5-7-15(24-3)8-6-14;1-12-19-9-8-16(20-12)21-10-15(18(2,11-21)17(22)23)13-4-6-14(24-3)7-5-13;1-14(13(16)18-3)9-15-8-12(14)10-4-6-11(17-2)7-5-10;1-4-7-3-2-5(6)8-4/h6-12,15,19,26-27,29,32H,13-14,16-18,20-23H2,1-5H3;3-4,10,13-14,16,21H,5-9,11-12H2,1-2H3;5-10,16H,11-12H2,1-4H3;4-9,15H,10-11H2,1-3H3,(H,22,23);4-7,12,15H,8-9H2,1-3H3;2-3H,1H3/t27-,29+,32+,37-;14-,16+;16-,19+;15-,18+;12-,14+;/m11000./s1.

What are the key properties of 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate?

4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate has a molecular weight of 2056.90 g/mol, XLogP of 15.34, 25 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-methylpyrimidine;(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)-1-[(3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl 1-[5-fluoro-2-[(3S,5S)-5-(methoxymethyl)pyrrolidin-3-yl]phenyl]piperidine-4-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylate;methyl (3S,4S)-4-(4-methoxyphenyl)-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 159060637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).