2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

C26H38ClF3N16O6S2 — CID 165063077

IUPAC2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESCN(C1CC2(C1)CN(c1nc(N)nc3nc[nH]c13)C2)S(N)(=O)=O.CN(C1CC2(CNC2)C1)S(N)(=O)=O.Nc1nc(Cl)c2[nH]cnc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N8O2S.C7H15N3O2S.C5H4ClN5.C2HF3O2/c1-19(23(14,21)22)7-2-12(3-7)4-20(5-12)10-8-9(16-6-15-8)17-11(13)18-10;1-10(13(8,11)12)6-2-7(3-6)4-9-5-7;6-3-2-4(9-1-8-2)11-5(7)10-3;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3,(H2,14,21,22)(H3,13,15,16,17,18);6,9H,2-5H2,1H3,(H2,8,11,12);1H,(H3,7,8,9,10,11);(H,6,7)
InChIKeyIXFJJSOKKFPNSL-UHFFFAOYSA-N
MW827.28 g/mol
LogP-0.87
Rot. Bonds5

About 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 165063077) has the molecular formula C26H38ClF3N16O6S2 and a molecular weight of 827.28 g/mol. Its IUPAC name is 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID165063077
Molecular FormulaC26H38ClF3N16O6S2
Molecular Weight827.28 g/mol
Exact Mass826.22
IUPAC Name2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESCN(C1CC2(C1)CN(c1nc(N)nc3nc[nH]c13)C2)S(N)(=O)=O.CN(C1CC2(CNC2)C1)S(N)(=O)=O.Nc1nc(Cl)c2[nH]cnc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H18N8O2S.C7H15N3O2S.C5H4ClN5.C2HF3O2/c1-19(23(14,21)22)7-2-12(3-7)4-20(5-12)10-8-9(16-6-15-8)17-11(13)18-10;1-10(13(8,11)12)6-2-7(3-6)4-9-5-7;6-3-2-4(9-1-8-2)11-5(7)10-3;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3,(H2,14,21,22)(H3,13,15,16,17,18);6,9H,2-5H2,1H3,(H2,8,11,12);1H,(H3,7,8,9,10,11);(H,6,7)
InChIKeyIXFJJSOKKFPNSL-UHFFFAOYSA-N
XLogP-0.87
TPSA340.33 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

6-(6-fluoro-2-azaspiro[3.3]heptan-2-yl)-7H-purin-2-amine
CID 177211825
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
6-[2,2-dimethylpropyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 175947605
N-[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methanesulfonamide
CID 72881722
6-(4-methylpiperidin-1-yl)-7H-purin-2-amine
CID 44776716
1-(2-amino-7H-purin-6-yl)-N-methylpiperidine-3-carboxamide
CID 103718742
6-(4-propan-2-ylpiperazin-1-yl)-7H-purin-2-amine
CID 115669377
1-(2-amino-7H-purin-6-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70763853
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
6-(3-methoxypyrrolidin-1-yl)-7H-purin-2-amine
CID 103541736

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 165063077) is 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is CN(C1CC2(C1)CN(c1nc(N)nc3nc[nH]c13)C2)S(N)(=O)=O.CN(C1CC2(CNC2)C1)S(N)(=O)=O.Nc1nc(Cl)c2[nH]cnc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is IXFJJSOKKFPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O2S.C7H15N3O2S.C5H4ClN5.C2HF3O2/c1-19(23(14,21)22)7-2-12(3-7)4-20(5-12)10-8-9(16-6-15-8)17-11(13)18-10;1-10(13(8,11)12)6-2-7(3-6)4-9-5-7;6-3-2-4(9-1-8-2)11-5(7)10-3;3-2(4,5)1(6)7/h6-7H,2-5H2,1H3,(H2,14,21,22)(H3,13,15,16,17,18);6,9H,2-5H2,1H3,(H2,8,11,12);1H,(H3,7,8,9,10,11);(H,6,7).
What are the key properties of 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 827.28 g/mol, XLogP of -0.87, 5 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptan-2-yl]-7H-purine;6-chloro-7H-purin-2-amine;6-[methyl(sulfamoyl)amino]-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 165063077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).