1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane

C99H97Cl4N27O9S7 — CID 160695381

IUPAC1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane
SMILESCC(=O)c1sc2nc(C[C@@H](C)CO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(C[C@H](C)CO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc4c(c3)OCC4)c2c1N.CNC(=O)c1cc2c(-c3ccncc3)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)nc(-c3cccnc3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3cccnc3)c2c1N.S
InChIInChI=1S/C19H18N4O2S.2C18H17Cl2N3O2S.C16H16N6OS.C14H14N6OS.C14H13N5OS.H2S/c1-9(24)17-15(20)14-16(11-3-2-10-6-7-25-13(10)8-11)22-19(21-12-4-5-12)23-18(14)26-17;2*1-8(7-24)5-13-22-16(10-3-4-11(19)12(20)6-10)14-15(21)17(9(2)25)26-18(14)23-13;1-18-14(23)13-11(17)10-12(8-3-2-6-19-7-8)21-16(20-9-4-5-9)22-15(10)24-13;1-16-12(21)11-9(15)8-10(7-4-3-5-18-6-7)19-14(17-2)20-13(8)22-11;1-15-12(20)10-7-9-11(8-3-5-17-6-4-8)18-14(16-2)19-13(9)21-10;/h2-3,8,12H,4-7,20H2,1H3,(H,21,22,23);2*3-4,6,8,24H,5,7,21H2,1-2H3;2-3,6-7,9H,4-5,17H2,1H3,(H,18,23)(H,20,21,22);3-6H,15H2,1-2H3,(H,16,21)(H,17,19,20);3-7H,1-2H3,(H,15,20)(H,16,18,19);1H2/t;2*8-;;;;/m.10..../s1
InChIKeyRPXVJEUEAUGOAY-GTCDONSISA-N
MW2175.33 g/mol
LogP19.17
Rot. Bonds24

About 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane

1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane (PubChem CID 160695381) has the molecular formula C99H97Cl4N27O9S7 and a molecular weight of 2175.33 g/mol. Its IUPAC name is 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane.

Molecular Properties

Compound Name1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane
PubChem CID160695381
Molecular FormulaC99H97Cl4N27O9S7
Molecular Weight2175.33 g/mol
Exact Mass2171.48
IUPAC Name1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane
SMILESCC(=O)c1sc2nc(C[C@@H](C)CO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(C[C@H](C)CO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc4c(c3)OCC4)c2c1N.CNC(=O)c1cc2c(-c3ccncc3)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)nc(-c3cccnc3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3cccnc3)c2c1N.S
InChIInChI=1S/C19H18N4O2S.2C18H17Cl2N3O2S.C16H16N6OS.C14H14N6OS.C14H13N5OS.H2S/c1-9(24)17-15(20)14-16(11-3-2-10-6-7-25-13(10)8-11)22-19(21-12-4-5-12)23-18(14)26-17;2*1-8(7-24)5-13-22-16(10-3-4-11(19)12(20)6-10)14-15(21)17(9(2)25)26-18(14)23-13;1-18-14(23)13-11(17)10-12(8-3-2-6-19-7-8)21-16(20-9-4-5-9)22-15(10)24-13;1-16-12(21)11-9(15)8-10(7-4-3-5-18-6-7)19-14(17-2)20-13(8)22-11;1-15-12(20)10-7-9-11(8-3-5-17-6-4-8)18-14(16-2)19-13(9)21-10;/h2-3,8,12H,4-7,20H2,1H3,(H,21,22,23);2*3-4,6,8,24H,5,7,21H2,1-2H3;2-3,6-7,9H,4-5,17H2,1H3,(H,18,23)(H,20,21,22);3-6H,15H2,1-2H3,(H,16,21)(H,17,19,20);3-7H,1-2H3,(H,15,20)(H,16,18,19);1H2/t;2*8-;;;;/m.10..../s1
InChIKeyRPXVJEUEAUGOAY-GTCDONSISA-N
XLogP19.17
TPSA559.77 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.33
LogP ≤ 519.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane?
The IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane (CID 160695381) is 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane.
What is the SMILES notation for 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane?
The canonical SMILES for 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane is CC(=O)c1sc2nc(C[C@@H](C)CO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(C[C@H](C)CO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc4c(c3)OCC4)c2c1N.CNC(=O)c1cc2c(-c3ccncc3)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)nc(-c3cccnc3)c2c1N.CNC(=O)c1sc2nc(NC3CC3)nc(-c3cccnc3)c2c1N.S.
What is the InChIKey of 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane?
The InChIKey is RPXVJEUEAUGOAY-GTCDONSISA-N. The full InChI is InChI=1S/C19H18N4O2S.2C18H17Cl2N3O2S.C16H16N6OS.C14H14N6OS.C14H13N5OS.H2S/c1-9(24)17-15(20)14-16(11-3-2-10-6-7-25-13(10)8-11)22-19(21-12-4-5-12)23-18(14)26-17;2*1-8(7-24)5-13-22-16(10-3-4-11(19)12(20)6-10)14-15(21)17(9(2)25)26-18(14)23-13;1-18-14(23)13-11(17)10-12(8-3-2-6-19-7-8)21-16(20-9-4-5-9)22-15(10)24-13;1-16-12(21)11-9(15)8-10(7-4-3-5-18-6-7)19-14(17-2)20-13(8)22-11;1-15-12(20)10-7-9-11(8-3-5-17-6-4-8)18-14(16-2)19-13(9)21-10;/h2-3,8,12H,4-7,20H2,1H3,(H,21,22,23);2*3-4,6,8,24H,5,7,21H2,1-2H3;2-3,6-7,9H,4-5,17H2,1H3,(H,18,23)(H,20,21,22);3-6H,15H2,1-2H3,(H,16,21)(H,17,19,20);3-7H,1-2H3,(H,15,20)(H,16,18,19);1H2/t;2*8-;;;;/m.10..../s1.
What are the key properties of 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane?
1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane has a molecular weight of 2175.33 g/mol, XLogP of 19.17, 24 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(cyclopropylamino)-4-(2,3-dihydro-1-benzofuran-6-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-2-(cyclopropylamino)-N-methyl-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[(2S)-3-hydroxy-2-methylpropyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;5-amino-N-methyl-2-(methylamino)-4-pyridin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide;N-methyl-2-(methylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide;sulfane is sourced from PubChem (CID 160695381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).