N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine

C54H48F3N29O2S — CID 159208500

IUPACN-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine
SMILESCc1nc(NCc2ccco2)c2[nH]cnc2n1.Cn1nccc1CNc1ncnc2nc[nH]c12.FC(F)(F)c1nc(NCc2ccco2)c2[nH]cnc2n1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)cc1.c1nc(NCc2cncs2)c2[nH]cnc2n1
InChIInChI=1S/C13H10N6.C11H8F3N5O.C11H11N5O.C10H11N7.C9H8N6S/c14-5-9-1-3-10(4-2-9)6-15-12-11-13(17-7-16-11)19-8-18-12;12-11(13,14)10-18-8(7-9(19-10)17-5-16-7)15-4-6-2-1-3-20-6;1-7-15-10(9-11(16-7)14-6-13-9)12-5-8-3-2-4-17-8;1-17-7(2-3-16-17)4-11-9-8-10(13-5-12-8)15-6-14-9;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8/h1-4,7-8H,6H2,(H2,15,16,17,18,19);1-3,5H,4H2,(H2,15,16,17,18,19);2-4,6H,5H2,1H3,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,11,12,13,14,15);1,3-5H,2H2,(H2,11,12,13,14,15)
InChIKeyKQENOPCVDUMIFL-UHFFFAOYSA-N
MW1224.24 g/mol
LogP8.40
Rot. Bonds15

About N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine

N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine (PubChem CID 159208500) has the molecular formula C54H48F3N29O2S and a molecular weight of 1224.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine
PubChem CID159208500
Molecular FormulaC54H48F3N29O2S
Molecular Weight1224.24 g/mol
Exact Mass1223.42
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine
SMILESCc1nc(NCc2ccco2)c2[nH]cnc2n1.Cn1nccc1CNc1ncnc2nc[nH]c12.FC(F)(F)c1nc(NCc2ccco2)c2[nH]cnc2n1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)cc1.c1nc(NCc2cncs2)c2[nH]cnc2n1
InChIInChI=1S/C13H10N6.C11H8F3N5O.C11H11N5O.C10H11N7.C9H8N6S/c14-5-9-1-3-10(4-2-9)6-15-12-11-13(17-7-16-11)19-8-18-12;12-11(13,14)10-18-8(7-9(19-10)17-5-16-7)15-4-6-2-1-3-20-6;1-7-15-10(9-11(16-7)14-6-13-9)12-5-8-3-2-4-17-8;1-17-7(2-3-16-17)4-11-9-8-10(13-5-12-8)15-6-14-9;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8/h1-4,7-8H,6H2,(H2,15,16,17,18,19);1-3,5H,4H2,(H2,15,16,17,18,19);2-4,6H,5H2,1H3,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,11,12,13,14,15);1,3-5H,2H2,(H2,11,12,13,14,15)
InChIKeyKQENOPCVDUMIFL-UHFFFAOYSA-N
XLogP8.40
TPSA413.23 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.24
LogP ≤ 58.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(azetidin-3-yloxy)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(cyclopentylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;5-chloro-N-(pyrimidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-chloro-N-(pyrimidin-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-8-(1,3-thiazol-2-ylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 158402992
8-(cyclobutylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-[2-[2-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine
CID 159507027
2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-8-propan-2-yloxy-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(furan-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(furan-2-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160248012
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
8-but-2-ynoxy-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2-cyclopropylethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-pent-3-ynoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
CID 160987966
bis(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;methane;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-a][1,3,5]triazine;pyrrolo[1,2-b]pyridazine;pyrrolo[1,2-b][1,2,4]triazine;pyrrolo[1,2-c]pyrimidine;pyrrolo[2,1-c][1,2,4]triazine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;pyrrolo[1,2-d][1,2,4]triazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;triazolo[1,5-a]pyridine
CID 157240148
methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
CID 157311089
benzene;tridecakis(2,2-dimethylpropane);furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine;1,3-thiazole
CID 157346766
5-methyl-5H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;bis(2-methyl-1H-imidazo[4,5-c]pyridin-4-amine);2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine;2-methyl-1H-pyrrolo[2,3-c]pyridine;2-methyl-1H-pyrrolo[3,2-c]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[2,3-c]pyridin-7-amine
CID 157587435
2-chloro-7-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-5-fluoro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,5-dichloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,5-dichloro-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2,5-dichloro-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 157692559
N-[(3R,4R)-1-furo[3,2-d]pyrimidin-4-yl-4-methylpiperidin-3-yl]-N-methylfuro[3,2-d]pyrimidin-4-amine;N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-amine;N-methyl-N-[(3R,4R)-4-methyl-1-pyrrolo[2,1-f][1,2,4]triazin-4-ylpiperidin-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 157758048
ethane;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;bis(4-methylpyrimidine);2-methyl-1,3-thiazole;toluene
CID 158241181

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine (CID 159208500) is N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine is Cc1nc(NCc2ccco2)c2[nH]cnc2n1.Cn1nccc1CNc1ncnc2nc[nH]c12.FC(F)(F)c1nc(NCc2ccco2)c2[nH]cnc2n1.N#Cc1ccc(CNc2ncnc3nc[nH]c23)cc1.c1nc(NCc2cncs2)c2[nH]cnc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine?
The InChIKey is KQENOPCVDUMIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6.C11H8F3N5O.C11H11N5O.C10H11N7.C9H8N6S/c14-5-9-1-3-10(4-2-9)6-15-12-11-13(17-7-16-11)19-8-18-12;12-11(13,14)10-18-8(7-9(19-10)17-5-16-7)15-4-6-2-1-3-20-6;1-7-15-10(9-11(16-7)14-6-13-9)12-5-8-3-2-4-17-8;1-17-7(2-3-16-17)4-11-9-8-10(13-5-12-8)15-6-14-9;1-6(16-5-10-1)2-11-8-7-9(13-3-12-7)15-4-14-8/h1-4,7-8H,6H2,(H2,15,16,17,18,19);1-3,5H,4H2,(H2,15,16,17,18,19);2-4,6H,5H2,1H3,(H2,12,13,14,15,16);2-3,5-6H,4H2,1H3,(H2,11,12,13,14,15);1,3-5H,2H2,(H2,11,12,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine?
N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine has a molecular weight of 1224.24 g/mol, XLogP of 8.40, 15 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-7H-purin-6-amine;N-(furan-2-ylmethyl)-2-(trifluoromethyl)-7H-purin-6-amine;N-[(2-methylpyrazol-3-yl)methyl]-7H-purin-6-amine;4-[(7H-purin-6-ylamino)methyl]benzonitrile;N-(1,3-thiazol-5-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 159208500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).