2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine

C54H50Cl3FN28O3S3 — CID 160507054

IUPAC2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine
SMILESCC(Nc1nc(Cl)nc2[nH]ccc12)c1nccs1.CC(Nc1nc(Cl)nc2nc[nH]c12)c1ccncc1.CC(Nc1nc(Cl)nc2nc[nH]c12)c1nccs1.COc1nc(NCc2ccco2)c2[nH]c(OC)nc2n1.Fc1nc(NCc2nccs2)c2[nH]cnc2n1
InChIInChI=1S/C12H11ClN6.C12H13N5O3.C11H10ClN5S.C10H9ClN6S.C9H7FN6S/c1-7(8-2-4-14-5-3-8)17-11-9-10(16-6-15-9)18-12(13)19-11;1-18-11-14-8-9(13-6-7-4-3-5-20-7)15-12(19-2)17-10(8)16-11;1-6(10-14-4-5-18-10)15-9-7-2-3-13-8(7)16-11(12)17-9;1-5(9-12-2-3-18-9)15-8-6-7(14-4-13-6)16-10(11)17-8;10-9-15-7(6-8(16-9)14-4-13-6)12-3-5-11-1-2-17-5/h2-7H,1H3,(H2,15,16,17,18,19);3-5H,6H2,1-2H3,(H2,13,14,15,16,17);2-6H,1H3,(H2,13,15,16,17);2-5H,1H3,(H2,13,14,15,16,17);1-2,4H,3H2,(H2,12,13,14,15,16)
InChIKeyQSNZTNQJKMPJHN-UHFFFAOYSA-N
MW1360.74 g/mol
LogP11.59
Rot. Bonds17

About 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine

2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine (PubChem CID 160507054) has the molecular formula C54H50Cl3FN28O3S3 and a molecular weight of 1360.74 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine
PubChem CID160507054
Molecular FormulaC54H50Cl3FN28O3S3
Molecular Weight1360.74 g/mol
Exact Mass1358.28
IUPAC Name2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine
SMILESCC(Nc1nc(Cl)nc2[nH]ccc12)c1nccs1.CC(Nc1nc(Cl)nc2nc[nH]c12)c1ccncc1.CC(Nc1nc(Cl)nc2nc[nH]c12)c1nccs1.COc1nc(NCc2ccco2)c2[nH]c(OC)nc2n1.Fc1nc(NCc2nccs2)c2[nH]cnc2n1
InChIInChI=1S/C12H11ClN6.C12H13N5O3.C11H10ClN5S.C10H9ClN6S.C9H7FN6S/c1-7(8-2-4-14-5-3-8)17-11-9-10(16-6-15-9)18-12(13)19-11;1-18-11-14-8-9(13-6-7-4-3-5-20-7)15-12(19-2)17-10(8)16-11;1-6(10-14-4-5-18-10)15-9-7-2-3-13-8(7)16-11(12)17-9;1-5(9-12-2-3-18-9)15-8-6-7(14-4-13-6)16-10(11)17-8;10-9-15-7(6-8(16-9)14-4-13-6)12-3-5-11-1-2-17-5/h2-7H,1H3,(H2,15,16,17,18,19);3-5H,6H2,1-2H3,(H2,13,14,15,16,17);2-6H,1H3,(H2,13,15,16,17);2-5H,1H3,(H2,13,14,15,16,17);1-2,4H,3H2,(H2,12,13,14,15,16)
InChIKeyQSNZTNQJKMPJHN-UHFFFAOYSA-N
XLogP11.59
TPSA402.72 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001360.74
LogP ≤ 511.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine with MolForge

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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
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
2-chloro-8-(2,2-difluoroethoxy)-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;1-[2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]pyrrolidin-2-one;2-chloro-N-(furan-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine;N-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]acetamide;3-[2-[[2-chloro-6-(1,3-thiazol-2-ylmethylamino)-7H-purin-8-yl]oxy]ethyl]-1,3-oxazolidin-2-one
CID 159287317
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
2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(thiophen-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2,2-difluoroethoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-(2,2-difluoropropoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-methoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;8-methoxy-6-(1,3-thiazol-2-ylmethylamino)-7H-purine-2-carbonitrile
CID 160682667
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
2-chloro-8-(2,2-difluoropropoxy)-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-[(2-chloro-8-propoxy-7H-purin-6-yl)-(1,3-thiazol-2-ylmethyl)amino]ethanol;2-chloro-8-propoxy-N-(1,3-thiazol-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-8-(2,2,2-trifluoroethoxy)-7H-purin-6-amine;2-chloro-N-(1,3-thiazol-2-ylmethyl)-8-(3,3,3-trifluoropropoxy)-7H-purin-6-amine
CID 161163561
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
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
CID 123776950
2-methylfuro[2,3-c]pyridin-7-amine;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;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157164474
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine (CID 160507054) is 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine is CC(Nc1nc(Cl)nc2[nH]ccc12)c1nccs1.CC(Nc1nc(Cl)nc2nc[nH]c12)c1ccncc1.CC(Nc1nc(Cl)nc2nc[nH]c12)c1nccs1.COc1nc(NCc2ccco2)c2[nH]c(OC)nc2n1.Fc1nc(NCc2nccs2)c2[nH]cnc2n1.
What is the InChIKey of 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine?
The InChIKey is QSNZTNQJKMPJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6.C12H13N5O3.C11H10ClN5S.C10H9ClN6S.C9H7FN6S/c1-7(8-2-4-14-5-3-8)17-11-9-10(16-6-15-9)18-12(13)19-11;1-18-11-14-8-9(13-6-7-4-3-5-20-7)15-12(19-2)17-10(8)16-11;1-6(10-14-4-5-18-10)15-9-7-2-3-13-8(7)16-11(12)17-9;1-5(9-12-2-3-18-9)15-8-6-7(14-4-13-6)16-10(11)17-8;10-9-15-7(6-8(16-9)14-4-13-6)12-3-5-11-1-2-17-5/h2-7H,1H3,(H2,15,16,17,18,19);3-5H,6H2,1-2H3,(H2,13,14,15,16,17);2-6H,1H3,(H2,13,15,16,17);2-5H,1H3,(H2,13,14,15,16,17);1-2,4H,3H2,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine?
2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine has a molecular weight of 1360.74 g/mol, XLogP of 11.59, 17 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-4-ylethyl)-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-2,8-dimethoxy-7H-purin-6-amine is sourced from PubChem (CID 160507054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).