N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine

C59H55N25O4S — CID 158182577

IUPACN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1ccco1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1csc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C16H13N5O.3C11H11N5O.C10H9N5S/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;2*1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-10,13H,(H2,17,18,19,20,21);2*2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyFYTVEHRRNWLRTA-UHFFFAOYSA-N
MW1210.33 g/mol
LogP11.03
Rot. Bonds16

About N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine

N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine (PubChem CID 158182577) has the molecular formula C59H55N25O4S and a molecular weight of 1210.33 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;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine
PubChem CID158182577
Molecular FormulaC59H55N25O4S
Molecular Weight1210.33 g/mol
Exact Mass1209.46
IUPAC NameN-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine
SMILESCC(Nc1ncnc2nc[nH]c12)c1ccco1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1csc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C16H13N5O.3C11H11N5O.C10H9N5S/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;2*1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-10,13H,(H2,17,18,19,20,21);2*2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(H2,11,12,13,14,15)
InChIKeyFYTVEHRRNWLRTA-UHFFFAOYSA-N
XLogP11.03
TPSA385.01 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.33
LogP ≤ 511.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine with MolForge

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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;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine (CID 158182577) is N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine.
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;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine is CC(Nc1ncnc2nc[nH]c12)c1ccco1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.Cc1ccc(CNc2ncnc3nc[nH]c23)o1.c1ccc(C(Nc2ncnc3nc[nH]c23)c2ccco2)cc1.c1csc(CNc2ncnc3nc[nH]c23)c1.
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;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is FYTVEHRRNWLRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.3C11H11N5O.C10H9N5S/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;2*1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10;1-7(8-3-2-4-17-8)16-11-9-10(13-5-12-9)14-6-15-11;1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-10,13H,(H2,17,18,19,20,21);2*2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16);2-7H,1H3,(H2,12,13,14,15,16);1-3,5-6H,4H2,(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;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine?
N-[1-(furan-2-yl)ethyl]-7H-purin-6-amine;N-[furan-2-yl(phenyl)methyl]-7H-purin-6-amine;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 1210.33 g/mol, XLogP of 11.03, 16 rotatable bonds, 10 hydrogen bond donors, and 25 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;bis(N-[(5-methylfuran-2-yl)methyl]-7H-purin-6-amine);N-(thiophen-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 158182577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).