tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine

C96H131Cl5N36O11 — CID 158314653

IUPACtert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine
SMILESC.CC(C)(C)OC(=O)N1CCC(CO)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(-c4cnc(N)nc4)nc(Cl)nc32)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(Cl)nc(Cl)nc32)CC1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CCNCC2)cn1
InChIInChI=1S/C24H33N9O3.C20H25ClN8O2.C19H25N9O.C16H21Cl2N5O2.C11H21NO3.C5H2Cl2N4.CH4/c1-24(2,3)36-23(34)32-6-4-16(5-7-32)14-33-15-28-19-18(17-12-26-21(25)27-13-17)29-22(30-20(19)33)31-8-10-35-11-9-31;1-20(2,3)31-19(30)28-6-4-12(5-7-28)10-29-11-25-15-14(26-17(21)27-16(15)29)13-8-23-18(22)24-9-13;20-18-22-9-14(10-23-18)15-16-17(26-19(25-15)27-5-7-29-8-6-27)28(12-24-16)11-13-1-3-21-4-2-13;1-16(2,3)25-15(24)22-6-4-10(5-7-22)8-23-9-19-11-12(17)20-14(18)21-13(11)23;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;6-3-2-4(9-1-8-2)11-5(7)10-3;/h12-13,15-16H,4-11,14H2,1-3H3,(H2,25,26,27);8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,24);9-10,12-13,21H,1-8,11H2,(H2,20,22,23);9-10H,4-8H2,1-3H3;9,13H,4-8H2,1-3H3;1H,(H,8,9,10,11);1H4
InChIKeyGOCPLJGDQZZEBX-UHFFFAOYSA-N
MW2142.61 g/mol
LogP13.92
Rot. Bonds14

About tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine

tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine (PubChem CID 158314653) has the molecular formula C96H131Cl5N36O11 and a molecular weight of 2142.61 g/mol. Its IUPAC name is tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Nametert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine
PubChem CID158314653
Molecular FormulaC96H131Cl5N36O11
Molecular Weight2142.61 g/mol
Exact Mass2138.92
IUPAC Nametert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine
SMILESC.CC(C)(C)OC(=O)N1CCC(CO)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(-c4cnc(N)nc4)nc(Cl)nc32)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(Cl)nc(Cl)nc32)CC1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CCNCC2)cn1
InChIInChI=1S/C24H33N9O3.C20H25ClN8O2.C19H25N9O.C16H21Cl2N5O2.C11H21NO3.C5H2Cl2N4.CH4/c1-24(2,3)36-23(34)32-6-4-16(5-7-32)14-33-15-28-19-18(17-12-26-21(25)27-13-17)29-22(30-20(19)33)31-8-10-35-11-9-31;1-20(2,3)31-19(30)28-6-4-12(5-7-28)10-29-11-25-15-14(26-17(21)27-16(15)29)13-8-23-18(22)24-9-13;20-18-22-9-14(10-23-18)15-16-17(26-19(25-15)27-5-7-29-8-6-27)28(12-24-16)11-13-1-3-21-4-2-13;1-16(2,3)25-15(24)22-6-4-10(5-7-22)8-23-9-19-11-12(17)20-14(18)21-13(11)23;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;6-3-2-4(9-1-8-2)11-5(7)10-3;/h12-13,15-16H,4-11,14H2,1-3H3,(H2,25,26,27);8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,24);9-10,12-13,21H,1-8,11H2,(H2,20,22,23);9-10H,4-8H2,1-3H3;9,13H,4-8H2,1-3H3;1H,(H,8,9,10,11);1H4
InChIKeyGOCPLJGDQZZEBX-UHFFFAOYSA-N
XLogP13.92
TPSA559.62 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds14
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002142.61
LogP ≤ 513.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine?
The IUPAC name of tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine (CID 158314653) is tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine?
The canonical SMILES for tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine is C.CC(C)(C)OC(=O)N1CCC(CO)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(-c4cnc(N)nc4)nc(Cl)nc32)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1.CC(C)(C)OC(=O)N1CCC(Cn2cnc3c(Cl)nc(Cl)nc32)CC1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1ncc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CCNCC2)cn1.
What is the InChIKey of tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine?
The InChIKey is GOCPLJGDQZZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O3.C20H25ClN8O2.C19H25N9O.C16H21Cl2N5O2.C11H21NO3.C5H2Cl2N4.CH4/c1-24(2,3)36-23(34)32-6-4-16(5-7-32)14-33-15-28-19-18(17-12-26-21(25)27-13-17)29-22(30-20(19)33)31-8-10-35-11-9-31;1-20(2,3)31-19(30)28-6-4-12(5-7-28)10-29-11-25-15-14(26-17(21)27-16(15)29)13-8-23-18(22)24-9-13;20-18-22-9-14(10-23-18)15-16-17(26-19(25-15)27-5-7-29-8-6-27)28(12-24-16)11-13-1-3-21-4-2-13;1-16(2,3)25-15(24)22-6-4-10(5-7-22)8-23-9-19-11-12(17)20-14(18)21-13(11)23;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;6-3-2-4(9-1-8-2)11-5(7)10-3;/h12-13,15-16H,4-11,14H2,1-3H3,(H2,25,26,27);8-9,11-12H,4-7,10H2,1-3H3,(H2,22,23,24);9-10,12-13,21H,1-8,11H2,(H2,20,22,23);9-10H,4-8H2,1-3H3;9,13H,4-8H2,1-3H3;1H,(H,8,9,10,11);1H4.
What are the key properties of tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine?
tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine has a molecular weight of 2142.61 g/mol, XLogP of 13.92, 14 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-chloropurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;2,6-dichloro-7H-purine;methane;5-[2-morpholin-4-yl-9-(piperidin-4-ylmethyl)purin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 158314653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).