benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate

C144H148ClF3N40O24 — CID 163532347

About benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate

benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate (PubChem CID 163532347) has the molecular formula C144H148ClF3N40O24 and a molecular weight of 2915.47 g/mol. Its IUPAC name is benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate.

Molecular Properties

• Compound Name: benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate
• PubChem CID: 163532347
• Molecular Formula: C144H148ClF3N40O24
• Molecular Weight: 2915.47 g/mol
• Exact Mass: 2913.12
• IUPAC Name: benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate
• SMILES: CC(F)c1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncnc(C)c4[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1F.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1F.Cc1cccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)c1.O=C(OCc1ccccc1)N1CCO[C@H](c2nc3ncncc3[nH]2)C1.O=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncncc3[nH]2)C1
• InChI: InChI=1S/C19H20FN5O3.C19H21N5O3.2C18H18FN5O3.2C18H19N5O3.C17H16ClN5O3.C17H17N5O3/c1-12(20)14-4-2-13(3-5-14)10-28-19(26)25-6-7-27-16(9-25)18-23-15-8-21-11-22-17(15)24-18;1-12-3-5-14(6-4-12)10-27-19(25)24-7-8-26-15(9-24)17-22-16-13(2)20-11-21-18(16)23-17;2*1-11-2-3-12(6-13(11)19)9-27-18(25)24-4-5-26-15(8-24)17-22-14-7-20-10-21-16(14)23-17;1-12-2-4-13(5-3-12)10-26-18(24)23-6-7-25-15(9-23)17-21-14-8-19-11-20-16(14)22-17;1-12-3-2-4-13(7-12)10-26-18(24)23-5-6-25-15(9-23)17-21-14-8-19-11-20-16(14)22-17;18-12-4-2-1-3-11(12)9-26-17(24)23-5-6-25-14(8-23)16-21-13-7-19-10-20-15(13)22-16;23-17(25-10-12-4-2-1-3-5-12)22-6-7-24-14(9-22)16-20-13-8-18-11-19-15(13)21-16/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,22,23,24);3-6,11,15H,7-10H2,1-2H3,(H,20,21,22,23);2*2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,20,21,22,23);2-5,8,11,15H,6-7,9-10H2,1H3,(H,19,20,21,22);2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,19,20,21,22);1-4,7,10,14H,5-6,8-9H2,(H,19,20,21,22);1-5,8,11,14H,6-7,9-10H2,(H,18,19,20,21)/t12?,16-;5*15-;2*14-/m00000000/s1
• InChIKey: DUASCUQEHHXGAX-JNGGHPEZSA-N
• XLogP: 20.32
• TPSA: 745.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 25
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2915.47
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?

The IUPAC name of benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate (CID 163532347) is benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate.

What is the SMILES notation for benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?

The canonical SMILES for benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate is CC(F)c1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncnc(C)c4[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1F.Cc1ccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)cc1F.Cc1cccc(COC(=O)N2CCO[C@H](c3nc4ncncc4[nH]3)C2)c1.O=C(OCc1ccccc1)N1CCO[C@H](c2nc3ncncc3[nH]2)C1.O=C(OCc1ccccc1Cl)N1CCO[C@H](c2nc3ncncc3[nH]2)C1.

What is the InChIKey of benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?

The InChIKey is DUASCUQEHHXGAX-JNGGHPEZSA-N. The full InChI is InChI=1S/C19H20FN5O3.C19H21N5O3.2C18H18FN5O3.2C18H19N5O3.C17H16ClN5O3.C17H17N5O3/c1-12(20)14-4-2-13(3-5-14)10-28-19(26)25-6-7-27-16(9-25)18-23-15-8-21-11-22-17(15)24-18;1-12-3-5-14(6-4-12)10-27-19(25)24-7-8-26-15(9-24)17-22-16-13(2)20-11-21-18(16)23-17;2*1-11-2-3-12(6-13(11)19)9-27-18(25)24-4-5-26-15(8-24)17-22-14-7-20-10-21-16(14)23-17;1-12-2-4-13(5-3-12)10-26-18(24)23-6-7-25-15(9-23)17-21-14-8-19-11-20-16(14)22-17;1-12-3-2-4-13(7-12)10-26-18(24)23-5-6-25-15(9-23)17-21-14-8-19-11-20-16(14)22-17;18-12-4-2-1-3-11(12)9-26-17(24)23-5-6-25-14(8-23)16-21-13-7-19-10-20-15(13)22-16;23-17(25-10-12-4-2-1-3-5-12)22-6-7-24-14(9-22)16-20-13-8-18-11-19-15(13)21-16/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,21,22,23,24);3-6,11,15H,7-10H2,1-2H3,(H,20,21,22,23);2*2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,20,21,22,23);2-5,8,11,15H,6-7,9-10H2,1H3,(H,19,20,21,22);2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,19,20,21,22);1-4,7,10,14H,5-6,8-9H2,(H,19,20,21,22);1-5,8,11,14H,6-7,9-10H2,(H,18,19,20,21)/t12?,16-;5*15-;2*14-/m00000000/s1.

What are the key properties of benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?

benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate has a molecular weight of 2915.47 g/mol, XLogP of 20.32, 25 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(2-chlorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;[4-(1-fluoroethyl)phenyl]methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;bis((3-fluoro-4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate);(4-methylphenyl)methyl (2S)-2-(6-methyl-7H-purin-8-yl)morpholine-4-carboxylate;(3-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate;(4-methylphenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate is sourced from PubChem (CID 163532347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).