2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)

C97H116F15N33O15 — CID 158983310

IUPAC2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCNCC2)nc2nc(-c3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(N(C)C)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(N)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(NC)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H26N6O.C20H22N6O.C16H23N7O.C15H21N7O.C14H19N7O.5C2HF3O2/c1-3-4-14-28-19-20(25-22(28)27-15-12-23-13-16-27)24-18(26(2)21(19)29)11-10-17-8-6-5-7-9-17;1-3-4-12-26-16-17(23-20(26)25-13-10-21-11-14-25)22-18(24(2)19(16)27)15-8-6-5-7-9-15;1-5-6-9-23-12-13(18-15(20(2)3)21(4)14(12)24)19-16(23)22-10-7-17-8-11-22;1-4-5-8-22-11-12(18-14(16-2)20(3)13(11)23)19-15(22)21-9-6-17-7-10-21;1-3-4-7-21-10-11(17-13(15)19(2)12(10)22)18-14(21)20-8-5-16-6-9-20;5*3-2(4,5)1(6)7/h5-9,23H,10-16H2,1-2H3;5-9,21H,10-14H2,1-2H3;17H,7-11H2,1-4H3;17H,6-10H2,1-3H3,(H,16,18);16H,5-9H2,1-2H3,(H2,15,17);5*(H,6,7)
InChIKeyMATPIYOEJHKNQP-UHFFFAOYSA-N
MW2269.18 g/mol
LogP4.12
Rot. Bonds16

About 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)

2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid) (PubChem CID 158983310) has the molecular formula C97H116F15N33O15 and a molecular weight of 2269.18 g/mol. Its IUPAC name is 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)
PubChem CID158983310
Molecular FormulaC97H116F15N33O15
Molecular Weight2269.18 g/mol
Exact Mass2267.91
IUPAC Name2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCNCC2)nc2nc(-c3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(N(C)C)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(N)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(NC)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H26N6O.C20H22N6O.C16H23N7O.C15H21N7O.C14H19N7O.5C2HF3O2/c1-3-4-14-28-19-20(25-22(28)27-15-12-23-13-16-27)24-18(26(2)21(19)29)11-10-17-8-6-5-7-9-17;1-3-4-12-26-16-17(23-20(26)25-13-10-21-11-14-25)22-18(24(2)19(16)27)15-8-6-5-7-9-15;1-5-6-9-23-12-13(18-15(20(2)3)21(4)14(12)24)19-16(23)22-10-7-17-8-11-22;1-4-5-8-22-11-12(18-14(16-2)20(3)13(11)23)19-15(22)21-9-6-17-7-10-21;1-3-4-7-21-10-11(17-13(15)19(2)12(10)22)18-14(21)20-8-5-16-6-9-20;5*3-2(4,5)1(6)7/h5-9,23H,10-16H2,1-2H3;5-9,21H,10-14H2,1-2H3;17H,7-11H2,1-4H3;17H,6-10H2,1-3H3,(H,16,18);16H,5-9H2,1-2H3,(H2,15,17);5*(H,6,7)
InChIKeyMATPIYOEJHKNQP-UHFFFAOYSA-N
XLogP4.12
TPSA567.69 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002269.18
LogP ≤ 54.12
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid) with MolForge

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

Launch Full Analysis

Related Compounds

[7-benzyl-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;tert-butyl 4-[7-but-2-ynyl-2-chloro-6-oxo-1-(2-phenylethyl)purin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-but-2-ynyl-2,6-dioxo-1-(2-phenylethyl)-3H-purin-8-yl]piperazine-1-carboxylate;[7-but-2-ynyl-8-chloro-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]methyl 2,2-dimethylpropanoate;7-but-2-ynyl-2-methoxy-1-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2,2,2-trifluoroacetic acid;hydrochloride
CID 157065058
2-Benzyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;2-butyl-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1,2-dimethyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperidin-1-ylpurin-6-one;ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)acetate;pentakis(2,2,2-trifluoroacetic acid)
CID 157076660
tert-butyl 4-(1-but-2-ynyl-7-oxo-4-phenyl-6H-imidazo[4,5-d]pyridazin-2-yl)piperazine-1-carboxylate;3-but-2-ynyl-5-methyl-7-phenyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;2-(3-but-2-ynyl-4-oxo-7-phenyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)acetic acid;1-but-2-ynyl-4-phenyl-2-piperazin-1-yl-6H-imidazo[4,5-d]pyridazin-7-one;tris(2,2,2-trifluoroacetic acid)
CID 157338188
3-but-2-ynyl-5-methyl-7-phenyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;2-(3-but-2-ynyl-4-oxo-7-phenyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)acetic acid;1-but-2-ynyl-4-phenyl-2-piperazin-1-yl-6H-imidazo[4,5-d]pyridazin-7-one;tris(2,2,2-trifluoroacetic acid)
CID 157483636
Tert-butyl 4-[7-but-2-ynyl-3-(2,2-dimethylpropanoyloxymethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;7-but-2-ynyl-3-(2-ethoxyethyl)-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione;methyl 2-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-8-piperazin-1-ylpurin-3-yl)acetate;methyl 2-[7-but-2-ynyl-1-(2-ethoxyethyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate;tris(2,2,2-trifluoroacetic acid)
CID 157575498
2-Anilino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;1-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)piperidine-3-carboxylic acid;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(propan-2-ylamino)purin-6-one;7-but-2-ynyl-1-methyl-8-piperazin-1-yl-2-(pyridin-2-ylamino)purin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157628837
2-Amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 157700896
methane;2-(3-methyl-2,6-dioxopurin-7-yl)acetic acid;2-(3-methyl-2,6-dioxopurin-7-yl)-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]acetamide;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 157831205
1-benzyl-2-chloro-7-(dimethylamino)-5-methylimidazo[4,5-d]pyridazin-4-one;1-benzyl-7-(dimethylamino)-5-methylimidazo[4,5-d]pyridazin-4-one;tert-butyl 4-[1-benzyl-7-(dimethylamino)-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl]piperazine-1-carboxylate;tert-butyl 4-[7-(dimethylamino)-5-methyl-4-oxo-3H-imidazo[4,5-d]pyridazin-2-yl]piperazine-1-carboxylate;3-but-2-ynyl-7-(dimethylamino)-5-methyl-2-piperazin-1-yl-1H-imidazo[4,5-d]pyridazin-3-ium-4-one;5-methyl-2-piperidin-4-yl-1H-imidazo[4,5-d]pyridazin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 157912610
2-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-5-ethyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]-4-fluorobenzonitrile;2-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-7H-imidazo[1,2-a]purine-6,9-dione
CID 157913839
2-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-5-methyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[(3R)-3-aminopiperidin-1-yl]-1-[(2,5-difluorophenyl)methyl]-5-methyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[(3R)-3-aminopiperidin-1-yl]-1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-7H-imidazo[1,2-a]purine-6,9-dione;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]benzonitrile;2-[[2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-7H-imidazo[1,2-a]purin-1-yl]methyl]-4-fluorobenzonitrile
CID 158603969
Tert-butyl 4-[7-(2-ethenylphenyl)-3-(2-ethoxy-2-oxoethyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[7-(2-ethenylphenyl)-3-(2-ethoxy-2-oxoethyl)-1-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetic acid;ethyl 2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetate;bis(2,2,2-trifluoroacetic acid)
CID 158975197

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid) (CID 158983310) is 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid) is CC#CCn1c(N2CCNCC2)nc2nc(-c3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(CCc3ccccc3)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(N(C)C)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(N)n(C)c(=O)c21.CC#CCn1c(N2CCNCC2)nc2nc(NC)n(C)c(=O)c21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)?
The InChIKey is MATPIYOEJHKNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.C20H22N6O.C16H23N7O.C15H21N7O.C14H19N7O.5C2HF3O2/c1-3-4-14-28-19-20(25-22(28)27-15-12-23-13-16-27)24-18(26(2)21(19)29)11-10-17-8-6-5-7-9-17;1-3-4-12-26-16-17(23-20(26)25-13-10-21-11-14-25)22-18(24(2)19(16)27)15-8-6-5-7-9-15;1-5-6-9-23-12-13(18-15(20(2)3)21(4)14(12)24)19-16(23)22-10-7-17-8-11-22;1-4-5-8-22-11-12(18-14(16-2)20(3)13(11)23)19-15(22)21-9-6-17-7-10-21;1-3-4-7-21-10-11(17-13(15)19(2)12(10)22)18-14(21)20-8-5-16-6-9-20;5*3-2(4,5)1(6)7/h5-9,23H,10-16H2,1-2H3;5-9,21H,10-14H2,1-2H3;17H,7-11H2,1-4H3;17H,6-10H2,1-3H3,(H,16,18);16H,5-9H2,1-2H3,(H2,15,17);5*(H,6,7).
What are the key properties of 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid)?
2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2269.18 g/mol, XLogP of 4.12, 16 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-(dimethylamino)-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(methylamino)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one;pentakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158983310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).