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

C49H56N24O2 — CID 157417408

IUPAC6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine
SMILESCC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CN(Cc1ccco1)c1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1coc(CCc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H11N5O.2C11H15N5.C11H10N4O.C5H5N5/c1-16(5-8-3-2-4-17-8)11-9-10(13-6-12-9)14-7-15-11;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;6-4-3-5(9-1-7-3)10-2-8-4/h2-4,6-7H,5H2,1H3,(H,12,13,14,15);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);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;
InChIKeyBOZYOQBCMUIYAP-NPWUSIKPSA-N
MW1013.15 g/mol
LogP7.49
Rot. Bonds14

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

6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine (PubChem CID 157417408) has the molecular formula C49H56N24O2 and a molecular weight of 1013.15 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine
PubChem CID157417408
Molecular FormulaC49H56N24O2
Molecular Weight1013.15 g/mol
Exact Mass1012.50
IUPAC Name6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine
SMILESCC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CN(Cc1ccco1)c1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1coc(CCc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H11N5O.2C11H15N5.C11H10N4O.C5H5N5/c1-16(5-8-3-2-4-17-8)11-9-10(13-6-12-9)14-7-15-11;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;6-4-3-5(9-1-7-3)10-2-8-4/h2-4,6-7H,5H2,1H3,(H,12,13,14,15);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);1-2H,(H3,6,7,8,9,10)/b;8-4+;8-4-;;
InChIKeyBOZYOQBCMUIYAP-NPWUSIKPSA-N
XLogP7.49
TPSA351.90 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001013.15
LogP ≤ 57.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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

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
2-chloro-6-N-(furan-2-ylmethyl)-8-N,8-N-dimethyl-7H-purine-6,8-diamine;2-chloro-N-(furan-2-ylmethyl)-7-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-9-methylpurin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine
CID 159230109
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
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
CID 19706488
CID 19706488
N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine
CID 67926018
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91465518
8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine
CID 123422552
8-[6-[2-(furan-2-yl)ethyl]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
CID 123613179
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137147166
3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole
CID 141027042
2,8-dimethyl-N-[[5-[[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-2-yl]methyl]furan-2-yl]methyl]-7H-purin-6-amine
CID 142507029

Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine?
The IUPAC name of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine (CID 157417408) is 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine.
What is the SMILES notation for 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine?
The canonical SMILES for 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine is CC/C(C)=C/CNc1ncnc2nc[nH]c12.CC/C(C)=C\CNc1ncnc2nc[nH]c12.CN(Cc1ccco1)c1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1coc(CCc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine?
The InChIKey is BOZYOQBCMUIYAP-NPWUSIKPSA-N. The full InChI is InChI=1S/C11H11N5O.2C11H15N5.C11H10N4O.C5H5N5/c1-16(5-8-3-2-4-17-8)11-9-10(13-6-12-9)14-7-15-11;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;6-4-3-5(9-1-7-3)10-2-8-4/h2-4,6-7H,5H2,1H3,(H,12,13,14,15);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);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-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine?
6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine has a molecular weight of 1013.15 g/mol, XLogP of 7.49, 14 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;N-[(Z)-3-methylpent-2-enyl]-7H-purin-6-amine;N-[(E)-3-methylpent-2-enyl]-7H-purin-6-amine;7H-purin-6-amine is sourced from PubChem (CID 157417408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).