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

C37H39N19O3 — CID 159552438

IUPAC6-[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
SMILESC/C(=C\CNc1ncnc2nc[nH]c12)CO.CN(Cc1ccco1)c1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1coc(CCc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H11N5O.C11H10N4O.C10H13N5O.C5H5N5/c1-16(5-8-3-2-4-17-8)11-9-10(13-6-12-9)14-7-15-11;1-2-8(16-5-1)3-4-9-10-11(14-6-12-9)15-7-13-10;1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h2-4,6-7H,5H2,1H3,(H,12,13,14,15);1-2,5-7H,3-4H2,(H,12,13,14,15);2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;;7-2+;
InChIKeyMFOGNOXWABDIDA-OBLHXNRISA-N
MW797.85 g/mol
LogP3.95
Rot. Bonds10

About 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

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 (PubChem CID 159552438) has the molecular formula C37H39N19O3 and a molecular weight of 797.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID159552438
Molecular FormulaC37H39N19O3
Molecular Weight797.85 g/mol
Exact Mass797.35
IUPAC Name6-[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
SMILESC/C(=C\CNc1ncnc2nc[nH]c12)CO.CN(Cc1ccco1)c1ncnc2nc[nH]c12.Nc1ncnc2nc[nH]c12.c1coc(CCc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C11H11N5O.C11H10N4O.C10H13N5O.C5H5N5/c1-16(5-8-3-2-4-17-8)11-9-10(13-6-12-9)14-7-15-11;1-2-8(16-5-1)3-4-9-10-11(14-6-12-9)15-7-13-10;1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h2-4,6-7H,5H2,1H3,(H,12,13,14,15);1-2,5-7H,3-4H2,(H,12,13,14,15);2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;;7-2+;
InChIKeyMFOGNOXWABDIDA-OBLHXNRISA-N
XLogP3.95
TPSA305.64 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500797.85
LogP ≤ 53.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

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;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol;7H-purin-6-amine with MolForge

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Launch Full Analysis

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
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)-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
[1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 58758764
[(2R)-1-[6-(furan-2-yl)-7H-purin-2-yl]pyrrolidin-2-yl]methanol
CID 59835024
N-(furan-2-ylmethyl)-7H-purin-6-amine;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
CID 66832345
N-(furan-2-ylmethyl)-7H-purin-6-amine;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
CID 67324836
9-(2-furanylmethyl)-N-(4-piperidinyl)-9H-purin-8-amine hemihydrate
CID 67878730
N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine
CID 67926018
8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine
CID 123422552
[(2R)-1-[6-(furan-2-yl)-7H-purin-9-ium-2-yl]pyrrolidin-2-yl]methanol
CID 123527449

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;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol;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;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol;7H-purin-6-amine (CID 159552438) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=C\CNc1ncnc2nc[nH]c12)CO.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;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol;7H-purin-6-amine?
The InChIKey is MFOGNOXWABDIDA-OBLHXNRISA-N. The full InChI is InChI=1S/C11H11N5O.C11H10N4O.C10H13N5O.C5H5N5/c1-16(5-8-3-2-4-17-8)11-9-10(13-6-12-9)14-7-15-11;1-2-8(16-5-1)3-4-9-10-11(14-6-12-9)15-7-13-10;1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9;6-4-3-5(9-1-7-3)10-2-8-4/h2-4,6-7H,5H2,1H3,(H,12,13,14,15);1-2,5-7H,3-4H2,(H,12,13,14,15);2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15);1-2H,(H3,6,7,8,9,10)/b;;7-2+;.
What are the key properties of 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?
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 has a molecular weight of 797.85 g/mol, XLogP of 3.95, 10 rotatable bonds, 7 hydrogen bond donors, and 18 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;(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol;7H-purin-6-amine is sourced from PubChem (CID 159552438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).