6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine

C175H195ClN38O20 — CID 158100088

IUPAC6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CC2(CC(N3C(=O)Cc4c(N(Cc5ccccc5)Cc5ccccc5)ncnc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(N3C(=O)Cc4c(N)ncnc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3[N+](=O)[O-])C2)C1.CC(C)(C)OC(=O)N1CC2(CC(n3c(=O)n(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)C1.Nc1ncnc2c1n(-c1ccc(Oc3ccccc3)cc1)c(=O)n2C1CC2(CNC2)C1.O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H35N5O3.C29H34N6O4.C29H36N6O2.C28H30N6O4.C23H22N6O2.C18H15ClN4O2.C17H23N5O3/c1-30(2,3)39-29(38)35-19-31(20-35)15-24(16-31)36-26(37)14-25-27(32-21-33-28(25)36)34(17-22-10-6-4-7-11-22)18-23-12-8-5-9-13-23;1-28(2,3)39-27(36)34-18-29(19-34)14-23(15-29)32-25-24(35(37)38)26(31-20-30-25)33(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22;1-28(2,3)37-27(36)35-18-29(19-35)14-23(15-29)33-25-24(30)26(32-20-31-25)34(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22;1-27(2,3)38-26(36)32-15-28(16-32)13-19(14-28)34-24-22(23(29)30-17-31-24)33(25(34)35)18-9-11-21(12-10-18)37-20-7-5-4-6-8-20;24-20-19-21(27-14-26-20)29(16-10-23(11-16)12-25-13-23)22(30)28(19)15-6-8-18(9-7-15)31-17-4-2-1-3-5-17;19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-16(2,3)25-15(24)21-7-17(8-21)5-10(6-17)22-12(23)4-11-13(18)19-9-20-14(11)22/h4-13,21,24H,14-20H2,1-3H3;4-13,20,23H,14-19H2,1-3H3,(H,30,31,32);4-13,20,23H,14-19,30H2,1-3H3,(H,31,32,33);4-12,17,19H,13-16H2,1-3H3,(H2,29,30,31);1-9,14,16,25H,10-13H2,(H2,24,26,27);1-10,13H,11-12H2;9-10H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyFPDOWNVFHWITRX-UHFFFAOYSA-N
MW3186.18 g/mol
LogP28.45
Rot. Bonds36

About 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine

6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine (PubChem CID 158100088) has the molecular formula C175H195ClN38O20 and a molecular weight of 3186.18 g/mol. Its IUPAC name is 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine
PubChem CID158100088
Molecular FormulaC175H195ClN38O20
Molecular Weight3186.18 g/mol
Exact Mass3183.51
IUPAC Name6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine
SMILESCC(C)(C)OC(=O)N1CC2(CC(N3C(=O)Cc4c(N(Cc5ccccc5)Cc5ccccc5)ncnc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(N3C(=O)Cc4c(N)ncnc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3[N+](=O)[O-])C2)C1.CC(C)(C)OC(=O)N1CC2(CC(n3c(=O)n(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)C1.Nc1ncnc2c1n(-c1ccc(Oc3ccccc3)cc1)c(=O)n2C1CC2(CNC2)C1.O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H35N5O3.C29H34N6O4.C29H36N6O2.C28H30N6O4.C23H22N6O2.C18H15ClN4O2.C17H23N5O3/c1-30(2,3)39-29(38)35-19-31(20-35)15-24(16-31)36-26(37)14-25-27(32-21-33-28(25)36)34(17-22-10-6-4-7-11-22)18-23-12-8-5-9-13-23;1-28(2,3)39-27(36)34-18-29(19-34)14-23(15-29)32-25-24(35(37)38)26(31-20-30-25)33(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22;1-28(2,3)37-27(36)35-18-29(19-35)14-23(15-29)33-25-24(30)26(32-20-31-25)34(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22;1-27(2,3)38-26(36)32-15-28(16-32)13-19(14-28)34-24-22(23(29)30-17-31-24)33(25(34)35)18-9-11-21(12-10-18)37-20-7-5-4-6-8-20;24-20-19-21(27-14-26-20)29(16-10-23(11-16)12-25-13-23)22(30)28(19)15-6-8-18(9-7-15)31-17-4-2-1-3-5-17;19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-16(2,3)25-15(24)21-7-17(8-21)5-10(6-17)22-12(23)4-11-13(18)19-9-20-14(11)22/h4-13,21,24H,14-20H2,1-3H3;4-13,20,23H,14-19H2,1-3H3,(H,30,31,32);4-13,20,23H,14-19,30H2,1-3H3,(H,31,32,33);4-12,17,19H,13-16H2,1-3H3,(H2,29,30,31);1-9,14,16,25H,10-13H2,(H2,24,26,27);1-10,13H,11-12H2;9-10H,4-8H2,1-3H3,(H2,18,19,20)
InChIKeyFPDOWNVFHWITRX-UHFFFAOYSA-N
XLogP28.45
TPSA680.51 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds36
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003186.18
LogP ≤ 528.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine?
The IUPAC name of 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine (CID 158100088) is 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine is CC(C)(C)OC(=O)N1CC2(CC(N3C(=O)Cc4c(N(Cc5ccccc5)Cc5ccccc5)ncnc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(N3C(=O)Cc4c(N)ncnc43)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3N)C2)C1.CC(C)(C)OC(=O)N1CC2(CC(Nc3ncnc(N(Cc4ccccc4)Cc4ccccc4)c3[N+](=O)[O-])C2)C1.CC(C)(C)OC(=O)N1CC2(CC(n3c(=O)n(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)C1.Nc1ncnc2c1n(-c1ccc(Oc3ccccc3)cc1)c(=O)n2C1CC2(CNC2)C1.O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine?
The InChIKey is FPDOWNVFHWITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3.C29H34N6O4.C29H36N6O2.C28H30N6O4.C23H22N6O2.C18H15ClN4O2.C17H23N5O3/c1-30(2,3)39-29(38)35-19-31(20-35)15-24(16-31)36-26(37)14-25-27(32-21-33-28(25)36)34(17-22-10-6-4-7-11-22)18-23-12-8-5-9-13-23;1-28(2,3)39-27(36)34-18-29(19-34)14-23(15-29)32-25-24(35(37)38)26(31-20-30-25)33(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22;1-28(2,3)37-27(36)35-18-29(19-35)14-23(15-29)33-25-24(30)26(32-20-31-25)34(16-21-10-6-4-7-11-21)17-22-12-8-5-9-13-22;1-27(2,3)38-26(36)32-15-28(16-32)13-19(14-28)34-24-22(23(29)30-17-31-24)33(25(34)35)18-9-11-21(12-10-18)37-20-7-5-4-6-8-20;24-20-19-21(27-14-26-20)29(16-10-23(11-16)12-25-13-23)22(30)28(19)15-6-8-18(9-7-15)31-17-4-2-1-3-5-17;19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-16(2,3)25-15(24)21-7-17(8-21)5-10(6-17)22-12(23)4-11-13(18)19-9-20-14(11)22/h4-13,21,24H,14-20H2,1-3H3;4-13,20,23H,14-19H2,1-3H3,(H,30,31,32);4-13,20,23H,14-19,30H2,1-3H3,(H,31,32,33);4-12,17,19H,13-16H2,1-3H3,(H2,29,30,31);1-9,14,16,25H,10-13H2,(H2,24,26,27);1-10,13H,11-12H2;9-10H,4-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine?
6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine has a molecular weight of 3186.18 g/mol, XLogP of 28.45, 36 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-(2-azaspiro[3.3]heptan-6-yl)-7-(4-phenoxyphenyl)purin-8-one;tert-butyl 6-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]-2-azaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-azaspiro[3.3]heptane-2-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine is sourced from PubChem (CID 158100088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).