6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine

C61H71N29O — CID 158630449

IUPAC6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1coc(CCc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5.2C11H15N5.C11H10N4O.C10H13N5.C5H5N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;2*1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-8(16-5-1)3-4-9-10-11(14-6-12-9)15-7-13-10;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);2*4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-2,5-7H,3-4H2,(H,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;;
InChIKeyHZCXXWLTAKDGLH-REJVYRDISA-N
MW1226.44 g/mol
LogP9.65
Rot. Bonds18

About 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine

6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine (PubChem CID 158630449) has the molecular formula C61H71N29O and a molecular weight of 1226.44 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
PubChem CID158630449
Molecular FormulaC61H71N29O
Molecular Weight1226.44 g/mol
Exact Mass1225.64
IUPAC Name6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine
SMILESCC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1coc(CCc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C13H13N5.2C11H15N5.C11H10N4O.C10H13N5.C5H5N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;2*1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-8(16-5-1)3-4-9-10-11(14-6-12-9)15-7-13-10;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);2*4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-2,5-7H,3-4H2,(H,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;;
InChIKeyHZCXXWLTAKDGLH-REJVYRDISA-N
XLogP9.65
TPSA414.04 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.44
LogP ≤ 59.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine with MolForge

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Related Compounds

9-[2-(2,2-dimethylpropylamino)ethyl]-2-fluoro-8-[[6-(furan-2-yl)-3H-benzimidazol-5-yl]methyl]purin-6-amine
CID 68161998
5-fluoro-4-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-pyrimidin-5-yl-1,2-dihydropyrido[3,4-d]pyrimidine
CID 145037325
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145037485
1-cyclopentyl-N-[[5-[5-fluoro-4-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2-dihydropyrido[2,3-d]pyrimidin-6-yl]-3-pyridinyl]methyl]methanamine
CID 145039040
N-[3-[2-[5-(5-amino-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N'-[[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-1-yl]methyl]-N'-methylethane-1,2-diamine
CID 145664901
6-chloro-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine;6-chloro-2-(trifluoromethyl)-7H-purine;6-(furan-2-yl)-9-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)purine
CID 158927530
N-[3-[2-[5-(5-amino-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 159176316
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 159984627
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 160572850
N-(furan-2-ylmethyl)-2-phenyl-7H-purin-6-amine;3-[(7H-purin-6-ylamino)methyl]benzoic acid;N-(2-pyridin-3-ylethyl)-7H-purin-6-amine;N-[[4-(trifluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 162055386
4-[6-(furan-2-yl)-1H-benzimidazol-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 59279182
4-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1-(7H-purin-6-yl)piperidin-4-amine
CID 59279274

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
The IUPAC name of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine (CID 158630449) is 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine.
What is the SMILES notation for 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
The canonical SMILES for 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine is CC(C)=CCNc1ncnc2nc[nH]c12.CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1ccc(CCNc2ncnc3nc[nH]c23)cc1.c1coc(CCc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
The InChIKey is HZCXXWLTAKDGLH-REJVYRDISA-N. The full InChI is InChI=1S/C13H13N5.2C11H15N5.C11H10N4O.C10H13N5.C5H5N5/c1-2-4-10(5-3-1)6-7-14-12-11-13(16-8-15-11)18-9-17-12;2*1-3-8(2)4-5-12-10-9-11(14-6-13-9)16-7-15-10;1-2-8(16-5-1)3-4-9-10-11(14-6-12-9)15-7-13-10;1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h1-5,8-9H,6-7H2,(H2,14,15,16,17,18);2*4,6-7H,3,5H2,1-2H3,(H2,12,13,14,15,16);1-2,5-7H,3-4H2,(H,12,13,14,15);3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;;.
What are the key properties of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine?
6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine has a molecular weight of 1226.44 g/mol, XLogP of 9.65, 18 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine;7H-purin-6-amine is sourced from PubChem (CID 158630449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).