N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone

C59H52N26O8 — CID 159190364

IUPACN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CNc2ncnc3nc[nH]c23)o1.CC(Nc1ncnc2nc[nH]c12)c1ccco1.O=C(O)C(Nc1ncnc2nc[nH]c12)c1ccco1.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1coc(CNc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C16H13N5O.C12H11N5O2.C11H9N5O3.C11H11N5O.C9H8N6O/c1-2-5-11(6-3-1)13(12-7-4-8-22-12)21-16-14-15(18-9-17-14)19-10-20-16;1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;17-11(18)7(6-2-1-3-19-6)16-10-8-9(13-4-12-8)14-5-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-10,13H,(H2,17,18,19,20,21);2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-5,7H,(H,17,18)(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-2,4-5H,3H2,(H2,11,12,13,14,15)
InChIKeyKNZWIOOOSDYJNG-UHFFFAOYSA-N
MW1253.24 g/mol
LogP9.16
Rot. Bonds18

About N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone

N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone (PubChem CID 159190364) has the molecular formula C59H52N26O8 and a molecular weight of 1253.24 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone
PubChem CID159190364
Molecular FormulaC59H52N26O8
Molecular Weight1253.24 g/mol
Exact Mass1252.45
IUPAC NameN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CNc2ncnc3nc[nH]c23)o1.CC(Nc1ncnc2nc[nH]c12)c1ccco1.O=C(O)C(Nc1ncnc2nc[nH]c12)c1ccco1.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1coc(CNc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C16H13N5O.C12H11N5O2.C11H9N5O3.C11H11N5O.C9H8N6O/c1-2-5-11(6-3-1)13(12-7-4-8-22-12)21-16-14-15(18-9-17-14)19-10-20-16;1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;17-11(18)7(6-2-1-3-19-6)16-10-8-9(13-4-12-8)14-5-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-10,13H,(H2,17,18,19,20,21);2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-5,7H,(H,17,18)(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-2,4-5H,3H2,(H2,11,12,13,14,15)
InChIKeyKNZWIOOOSDYJNG-UHFFFAOYSA-N
XLogP9.16
TPSA465.41 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001253.24
LogP ≤ 59.16
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone with MolForge

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Related Compounds

N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-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;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 158679603
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;5-[(7H-purin-6-ylamino)methyl]furan-2-carbonitrile;5-[(7H-purin-6-ylamino)methyl]furan-2-carboxylic acid;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 160788907
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
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-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;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
CID 157144390
butyl 2-[(2-cyclohexyl-1,3-oxazole-5-carbonyl)amino]-3-(1H-indol-2-yl)propanoate;butyl 3-(1H-indol-2-yl)-2-[[5-(4-methylpiperazin-1-yl)-4H-pyrazole-3-carbonyl]amino]propanoate;N-[cyclohexylmethoxy(5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-oxazole-4-carboxamide;N-[4-(diaminomethylideneamino)-7-methyloctanoyl]-2-[(4-methylpiperazin-1-yl)methyl]-3H-pyrrole-4-carboxamide;1-[2-(dimethylamino)ethyl]-N-[1-(3H-indol-2-yl)-2-propoxyethyl]-2,5-dioxopyrrole-3-carboxamide
CID 157743251
2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide;2-[2-chloro-6-(furan-2-ylmethylamino)-8-(methylamino)purin-9-yl]ethanol;2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]ethanol
CID 157847424
2-phenyl-3-propan-2-ylpyridine;2-phenyl-4-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;3-phenyl-2-propan-2-ylpyridine;3-phenyl-4-propan-2-ylpyridine;3-phenyl-5-propan-2-ylpyridine;4-phenyl-2-propan-2-ylpyridine;4-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylfuro[2,3-b]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 157900007
5-(furan-2-yl)-2-methyl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-2-methyl-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine;5-(furan-2-yl)-6-pyrimidin-4-yl-1H-imidazo[4,5-b]pyridine
CID 157960003
N,N-dimethyl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanamine;N',N'-dimethyl-N-(6-propan-2-ylpyrazin-2-yl)ethane-1,2-diamine;N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine;N-ethyl-6-propan-2-ylpyrazin-2-amine;4-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidine;1-methyl-2-propan-2-ylbenzimidazole;methyl 2-(2-propan-2-ylbenzimidazol-1-yl)acetate;methyl 1-propan-2-yl-2,3-dihydroindole-2-carboxylate;2-[methyl-(6-propan-2-ylpyrazin-2-yl)amino]ethanol;bis(2-(3-methylpyrrolidin-1-yl)-6-propan-2-ylpyrazine);2-propan-2-yl-1H-benzimidazole;1-(2-propan-2-ylbenzimidazol-1-yl)butan-2-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-6-pyrrolidin-3-yloxypyrazine
CID 158221814
2-phenyl-3-propan-2-ylpyridine;2-phenyl-5-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;3-phenyl-2-propan-2-ylpyridine;3-phenyl-5-propan-2-ylpyridine;4-phenyl-2-propan-2-ylpyridine;4-phenyl-3-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;6-propan-2-ylfuro[2,3-b]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
CID 158232279
3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 158379124
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;tris(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-4-ylmethyl)-7H-purin-6-amine;N-(1,3-oxazol-5-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone;[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol;N-(thiophen-2-ylmethyl)-7H-purin-6-amine;N-(1H-1,2,4-triazol-5-ylmethyl)-7H-purin-6-amine;N-(2H-triazol-4-ylmethyl)-7H-purin-6-amine
CID 158414143

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone (CID 159190364) is N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone is CC(=O)c1ccc(CNc2ncnc3nc[nH]c23)o1.CC(Nc1ncnc2nc[nH]c12)c1ccco1.O=C(O)C(Nc1ncnc2nc[nH]c12)c1ccco1.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1coc(CNc2ncnc3nc[nH]c23)n1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone?
The InChIKey is KNZWIOOOSDYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.C12H11N5O2.C11H9N5O3.C11H11N5O.C9H8N6O/c1-2-5-11(6-3-1)13(12-7-4-8-22-12)21-16-14-15(18-9-17-14)19-10-20-16;1-7(18)9-3-2-8(19-9)4-13-11-10-12(15-5-14-10)17-6-16-11;17-11(18)7(6-2-1-3-19-6)16-10-8-9(13-4-12-8)14-5-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-16-6(10-1)3-11-8-7-9(13-4-12-7)15-5-14-8/h1-10,13H,(H2,17,18,19,20,21);2-3,5-6H,4H2,1H3,(H2,13,14,15,16,17);1-5,7H,(H,17,18)(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-2,4-5H,3H2,(H2,11,12,13,14,15).
What are the key properties of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone?
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone has a molecular weight of 1253.24 g/mol, XLogP of 9.16, 18 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;2-(furan-2-yl)-2-(7H-purin-6-ylamino)acetic acid;N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;1-[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]ethanone is sourced from PubChem (CID 159190364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).