N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine

C55H51F3N26O4 — CID 159984627

IUPACN-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
SMILESC1=Cc2ncnc(NCc3ccco3)c2C1.CNc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1noc(CNc2ncnc3nc[nH]c23)n1.Cn1cnc2c(NCc3ccco3)ncnc21.FC(F)(F)c1ccccc1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H8F3N5.C12H11N3O.C11H12N6O.C11H11N5O.C9H9N7O/c13-12(14,15)7-3-1-2-4-8(7)20-11-9-10(17-5-16-9)18-6-19-11;1-4-10-11(5-1)14-8-15-12(10)13-7-9-3-2-6-16-9;1-12-11-16-9(8-10(17-11)15-6-14-8)13-5-7-3-2-4-18-7;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;1-5-15-6(17-16-5)2-10-8-7-9(12-3-11-7)14-4-13-8/h1-6H,(H2,16,17,18,19,20);1-3,5-6,8H,4,7H2,(H,13,14,15);2-4,6H,5H2,1H3,(H3,12,13,14,15,16,17);2-4,6-7H,5H2,1H3,(H,12,13,14);3-4H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyOGEFVVOXVUIDBS-UHFFFAOYSA-N
MW1197.18 g/mol
LogP9.19
Rot. Bonds15

About N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine

N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine (PubChem CID 159984627) has the molecular formula C55H51F3N26O4 and a molecular weight of 1197.18 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
PubChem CID159984627
Molecular FormulaC55H51F3N26O4
Molecular Weight1197.18 g/mol
Exact Mass1196.45
IUPAC NameN-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
SMILESC1=Cc2ncnc(NCc3ccco3)c2C1.CNc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1noc(CNc2ncnc3nc[nH]c23)n1.Cn1cnc2c(NCc3ccco3)ncnc21.FC(F)(F)c1ccccc1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H8F3N5.C12H11N3O.C11H12N6O.C11H11N5O.C9H9N7O/c13-12(14,15)7-3-1-2-4-8(7)20-11-9-10(17-5-16-9)18-6-19-11;1-4-10-11(5-1)14-8-15-12(10)13-7-9-3-2-6-16-9;1-12-11-16-9(8-10(17-11)15-6-14-8)13-5-7-3-2-4-18-7;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;1-5-15-6(17-16-5)2-10-8-7-9(12-3-11-7)14-4-13-8/h1-6H,(H2,16,17,18,19,20);1-3,5-6,8H,4,7H2,(H,13,14,15);2-4,6H,5H2,1H3,(H3,12,13,14,15,16,17);2-4,6-7H,5H2,1H3,(H,12,13,14);3-4H,2H2,1H3,(H2,10,11,12,13,14)
InChIKeyOGEFVVOXVUIDBS-UHFFFAOYSA-N
XLogP9.19
TPSA383.28 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001197.18
LogP ≤ 59.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine with MolForge

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Related Compounds

2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;2-chloro-N-(furan-2-ylmethyl)-5-(methoxymethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-7-(3,3,3-trifluoropropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 158085074
ethyl 4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidine-1-carboxylate;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-3-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(4-fluorophenyl)-3-[3-(trifluoromethoxy)propyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 158403835
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
2-(2,1-benzoxazol-7-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-cyclopropyloxy-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 159337387
2-bromo-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(oxetan-3-yloxy)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-8-N-(oxetan-3-yl)-6-N-(pyrimidin-4-ylmethyl)-7H-purine-6,8-diamine
CID 161165918
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
1-(furan-2-ylmethyl)-3-[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)-N-(pyridin-3-ylmethylcarbamoyl)anilino]urea
CID 91603103
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
CID 123139465
3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole
CID 141027042
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
N-benzyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-purin-6-amine;N-(3-methylbut-2-enyl)-7H-purin-6-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-(2-phenylethyl)-7H-purin-6-amine
CID 157489642
2-[2-[(4-Cyclohexylphenyl)methylamino]-6-[furan-2-ylmethyl(methyl)amino]purin-9-yl]acetic acid;ethyl 2-[6-[ethyl(methyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetate;2-[6-(3-methylbutylamino)-2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]purin-9-yl]acetic acid;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]-6-morpholin-4-ylpurin-9-yl]acetic acid
CID 157497741

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine (CID 159984627) is N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine is C1=Cc2ncnc(NCc3ccco3)c2C1.CNc1nc(NCc2ccco2)c2[nH]cnc2n1.Cc1noc(CNc2ncnc3nc[nH]c23)n1.Cn1cnc2c(NCc3ccco3)ncnc21.FC(F)(F)c1ccccc1Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
The InChIKey is OGEFVVOXVUIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5.C12H11N3O.C11H12N6O.C11H11N5O.C9H9N7O/c13-12(14,15)7-3-1-2-4-8(7)20-11-9-10(17-5-16-9)18-6-19-11;1-4-10-11(5-1)14-8-15-12(10)13-7-9-3-2-6-16-9;1-12-11-16-9(8-10(17-11)15-6-14-8)13-5-7-3-2-4-18-7;1-16-7-15-9-10(13-6-14-11(9)16)12-5-8-3-2-4-17-8;1-5-15-6(17-16-5)2-10-8-7-9(12-3-11-7)14-4-13-8/h1-6H,(H2,16,17,18,19,20);1-3,5-6,8H,4,7H2,(H,13,14,15);2-4,6H,5H2,1H3,(H3,12,13,14,15,16,17);2-4,6-7H,5H2,1H3,(H,12,13,14);3-4H,2H2,1H3,(H2,10,11,12,13,14).
What are the key properties of N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine?
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine has a molecular weight of 1197.18 g/mol, XLogP of 9.19, 15 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine is sourced from PubChem (CID 159984627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).