2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C47H45Cl4N21O3S2 — CID 158475681

IUPAC2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Cc1c[nH]c2nc(Cl)nc(NCc3ccncn3)c12.Cc1c[nH]c2nc(Cl)nc(NCc3nccs3)c12.Cc1cn(CCO)c2nc(Cl)nc(NCc3nccs3)c12
InChIInChI=1S/C13H14ClN5OS.C12H11ClN6.C11H10ClN5O2.C11H10ClN5S/c1-8-7-19(3-4-20)12-10(8)11(17-13(14)18-12)16-6-9-15-2-5-21-9;1-7-4-15-10-9(7)11(19-12(13)18-10)16-5-8-2-3-14-6-17-8;1-18-11-14-7-8(13-5-6-3-2-4-19-6)15-10(12)16-9(7)17-11;1-6-4-14-9-8(6)10(17-11(12)16-9)15-5-7-13-2-3-18-7/h2,5,7,20H,3-4,6H2,1H3,(H,16,17,18);2-4,6H,5H2,1H3,(H2,15,16,18,19);2-4H,5H2,1H3,(H2,13,14,15,16,17);2-4H,5H2,1H3,(H2,14,15,16,17)
InChIKeyHGXBJSBFFMOPGS-UHFFFAOYSA-N
MW1157.97 g/mol
LogP9.98
Rot. Bonds15

About 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158475681) has the molecular formula C47H45Cl4N21O3S2 and a molecular weight of 1157.97 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID158475681
Molecular FormulaC47H45Cl4N21O3S2
Molecular Weight1157.97 g/mol
Exact Mass1155.22
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Cc1c[nH]c2nc(Cl)nc(NCc3ccncn3)c12.Cc1c[nH]c2nc(Cl)nc(NCc3nccs3)c12.Cc1cn(CCO)c2nc(Cl)nc(NCc3nccs3)c12
InChIInChI=1S/C13H14ClN5OS.C12H11ClN6.C11H10ClN5O2.C11H10ClN5S/c1-8-7-19(3-4-20)12-10(8)11(17-13(14)18-12)16-6-9-15-2-5-21-9;1-7-4-15-10-9(7)11(19-12(13)18-10)16-5-8-2-3-14-6-17-8;1-18-11-14-7-8(13-5-6-3-2-4-19-6)15-10(12)16-9(7)17-11;1-6-4-14-9-8(6)10(17-11(12)16-9)15-5-7-13-2-3-18-7/h2,5,7,20H,3-4,6H2,1H3,(H,16,17,18);2-4,6H,5H2,1H3,(H2,15,16,18,19);2-4H,5H2,1H3,(H2,13,14,15,16,17);2-4H,5H2,1H3,(H2,14,15,16,17)
InChIKeyHGXBJSBFFMOPGS-UHFFFAOYSA-N
XLogP9.98
TPSA310.59 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001157.97
LogP ≤ 59.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-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-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
2-chloro-8-cyclobutyloxy-N-(furan-2-ylmethyl)-7H-purin-6-amine;2-chloro-8-ethoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-methyl-6-(pyrimidin-4-ylmethylamino)-7H-purine-8-carboxamide;2-chloro-4-(pyridin-4-ylmethylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;5-chloro-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 157257907
carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943
5-methyl-5H-cyclopenta[c]pyridin-1-amine;6-methyl-5H-cyclopenta[c]pyridin-1-amine;7-methyl-5H-cyclopenta[c]pyridin-1-amine;5-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;3-methylfuro[2,3-c]pyridin-7-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;1-methylpyrrolo[3,2-c]pyridin-4-amine;bis(2-methyl-1H-pyrrolo[2,3-c]pyridin-7-amine);2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;bis(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 157409239

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 158475681) is 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.Cc1c[nH]c2nc(Cl)nc(NCc3ccncn3)c12.Cc1c[nH]c2nc(Cl)nc(NCc3nccs3)c12.Cc1cn(CCO)c2nc(Cl)nc(NCc3nccs3)c12.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HGXBJSBFFMOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5OS.C12H11ClN6.C11H10ClN5O2.C11H10ClN5S/c1-8-7-19(3-4-20)12-10(8)11(17-13(14)18-12)16-6-9-15-2-5-21-9;1-7-4-15-10-9(7)11(19-12(13)18-10)16-5-8-2-3-14-6-17-8;1-18-11-14-7-8(13-5-6-3-2-4-19-6)15-10(12)16-9(7)17-11;1-6-4-14-9-8(6)10(17-11(12)16-9)15-5-7-13-2-3-18-7/h2,5,7,20H,3-4,6H2,1H3,(H,16,17,18);2-4,6H,5H2,1H3,(H2,15,16,18,19);2-4H,5H2,1H3,(H2,13,14,15,16,17);2-4H,5H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1157.97 g/mol, XLogP of 9.98, 15 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-8-methoxy-7H-purin-6-amine;2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158475681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).