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

C44H38F3N21O5 — CID 158152435

IUPACN-[(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
SMILESCc1ccc(CNc2ncnc3nc[nH]c23)o1.FC(F)(F)c1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H8F3N5O.C11H8N6O.C11H11N5O2.C11H11N5O/c12-11(13,14)7-2-1-6(20-7)3-15-9-8-10(17-4-16-8)19-5-18-9;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;1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16)
InChIKeyFVGVPODTADLEEC-UHFFFAOYSA-N
MW997.92 g/mol
LogP6.92
Rot. Bonds13

About 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

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 (PubChem CID 158152435) has the molecular formula C44H38F3N21O5 and a molecular weight of 997.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158152435
Molecular FormulaC44H38F3N21O5
Molecular Weight997.92 g/mol
Exact Mass997.33
IUPAC NameN-[(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
SMILESCc1ccc(CNc2ncnc3nc[nH]c23)o1.FC(F)(F)c1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1
InChIInChI=1S/C11H8F3N5O.C11H8N6O.C11H11N5O2.C11H11N5O/c12-11(13,14)7-2-1-6(20-7)3-15-9-8-10(17-4-16-8)19-5-18-9;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;1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16)
InChIKeyFVGVPODTADLEEC-UHFFFAOYSA-N
XLogP6.92
TPSA362.54 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500997.92
LogP ≤ 56.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

2-[6-[(5-methylfuran-2-yl)methylamino]-7H-purin-8-yl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-7H-purin-6-amine
CID 123488303
N-[(5-methylfuran-2-yl)methyl]-8-[6-[[5-(trifluoromethyl)furan-2-yl]methylamino]-7H-purin-1-ium-1-yl]-7H-purin-6-amine
CID 123896134
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
[5-[[2-[[4-[2-(3H-imidazo[4,5-c]pyridin-2-ylamino)ethyl]piperazin-1-yl]methyl]imidazo[4,5-b]pyridin-3-yl]methyl]furan-2-yl]methanol
CID 54573553
[5-[(7H-purin-6-ylamino)methyl]furan-2-yl]methanol
CID 78318512
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
[5-[[(8-methyl-7H-purin-6-yl)amino]methyl]furan-2-yl]methanol
CID 134339601
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
(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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CNc2ncnc3nc[nH]c23)o1.FC(F)(F)c1ccc(CNc2ncnc3nc[nH]c23)o1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)o1.OCc1ccc(CNc2ncnc3nc[nH]c23)o1.
What is the InChIKey of 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?
The InChIKey is FVGVPODTADLEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5O.C11H8N6O.C11H11N5O2.C11H11N5O/c12-11(13,14)7-2-1-6(20-7)3-15-9-8-10(17-4-16-8)19-5-18-9;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;1-7-2-3-8(17-7)4-12-10-9-11(14-5-13-9)16-6-15-10/h1-2,4-5H,3H2,(H2,15,16,17,18,19);1-2,5-6H,4H2,(H2,13,14,15,16,17);1-2,5-6,17H,3-4H2,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,12,13,14,15,16).
What are the key properties of 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?
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 has a molecular weight of 997.92 g/mol, XLogP of 6.92, 13 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158152435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).