bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol

C56H52N26O7 — CID 159498728

IUPACbis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
SMILESCC(=O)c1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C12H11N5O2.C11H8N6O.C11H11N5O2.2C11H11N5O/c1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10;17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10;2*1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2*2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16)
InChIKeyLZCNVUDFQMTIFB-UHFFFAOYSA-N
MW1201.21 g/mol
LogP7.97
Rot. Bonds17

About bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol

bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol (PubChem CID 159498728) has the molecular formula C56H52N26O7 and a molecular weight of 1201.21 g/mol. Its IUPAC name is bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Namebis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
PubChem CID159498728
Molecular FormulaC56H52N26O7
Molecular Weight1201.21 g/mol
Exact Mass1200.45
IUPAC Namebis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
SMILESCC(=O)c1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C12H11N5O2.C11H8N6O.C11H11N5O2.2C11H11N5O/c1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10;17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10;2*1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2*2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16)
InChIKeyLZCNVUDFQMTIFB-UHFFFAOYSA-N
XLogP7.97
TPSA459.24 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001201.21
LogP ≤ 57.97
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol with MolForge

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 158152435
5-[[[1-[6-[[5-(hydroxymethyl)furan-2-yl]methylamino]-7H-purin-8-yl]-7H-purin-1-ium-6-yl]amino]methyl]furan-2-carboxylic acid
CID 123368002
5-[[[2-[6-[[5-(hydroxymethyl)furan-2-yl]methylamino]-7H-purin-8-yl]-7H-purin-6-yl]amino]methyl]furan-2-carboxylic acid
CID 123993521
4-[2-(furan-2-yl)ethyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;bis(2-methyl-4-[2-(5-methylfuran-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine);2-methyl-N-[(5-methylfuran-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-methyl-4-(2-pyrazin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine;2-methyl-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-carbonitrile;[5-[[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]furan-2-yl]methanol;5-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]furan-2-carbonitrile;[5-[2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethyl]furan-2-yl]methanol
CID 157222795
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
(3R,4S,5R)-2-(6-amino-2-oct-1-ynylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;8-bromo-2-oct-1-ynyl-9-prop-2-ynylpurin-6-amine;8-(furan-2-yl)-2-oct-1-ynyl-9-prop-2-ynylpurin-6-amine;2-oct-1-ynyl-9-prop-2-ynylpurin-6-amine;2-oct-1-ynyl-7H-purin-6-amine
CID 157543512
azane;ethyl 5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylate;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxamide;hydrate
CID 157601376
lithium;sodium;6-chloro-7H-purine;ethyl 5-(aminomethyl)furan-2-carboxylate;ethyl 5-(azidomethyl)furan-2-carboxylate;ethyl 5-(chloromethyl)furan-2-carboxylate;ethyl 5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylate;methane;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;azide;hydroxide
CID 159497088
6-[2-(furan-2-yl)ethyl]-7H-purine;N-(furan-2-ylmethyl)-N-methyl-7H-purin-6-amine;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol;7H-purin-6-amine
CID 159552438
ethyl 5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylate;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
CID 159702137
sodium;6-chloro-7H-purine;ethyl 5-(aminomethyl)furan-2-carboxylate;ethyl 5-(azidomethyl)furan-2-carboxylate;ethyl 5-(chloromethyl)furan-2-carboxylate;ethyl 5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylate;methane;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;azide
CID 159842256
CID 161333478
CID 161333478

Frequently Asked Questions

What is the IUPAC name of bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
The IUPAC name of bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol (CID 159498728) is bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol is CC(=O)c1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1.
What is the InChIKey of bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
The InChIKey is LZCNVUDFQMTIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2.C11H8N6O.C11H11N5O2.2C11H11N5O/c1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;12-3-7-1-2-8(18-7)4-13-10-9-11(15-5-14-9)17-6-16-10;17-4-8-2-1-7(18-8)3-12-10-9-11(14-5-13-9)16-6-15-10;2*1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10/h2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2*2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16).
What are the key properties of bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol?
bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol has a molecular weight of 1201.21 g/mol, XLogP of 7.97, 17 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 159498728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).