1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

C96H81Cl8FN24O8S6 — CID 159338772

IUPAC1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CNC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(NC)nc2s1.CNC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(NC3CC3)nc2s1.CNC(=O)c1cc2c(-c3ccc4c(c3)OCO4)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)cc(-c3ccc(F)c(C)c3)c2c1N
InChIInChI=1S/2C17H14Cl2N4OS.C17H17FN4OS.C16H14N4O3S.C15H12Cl2N4OS.C14H10Cl2N4OS/c1-20-15(24)13-7-10-14(8-2-5-11(18)12(19)6-8)22-17(21-9-3-4-9)23-16(10)25-13;1-7(24)15-13(20)12-14(8-2-5-10(18)11(19)6-8)22-17(21-9-3-4-9)23-16(12)25-15;1-8-6-9(4-5-11(8)18)10-7-12(20-2)22-17-13(10)14(19)15(24-17)16(23)21-3;1-17-14(21)12-6-9-13(19-16(18-2)20-15(9)24-12)8-3-4-10-11(5-8)23-7-22-10;1-18-13(22)11-6-8-12(7-3-4-9(16)10(17)5-7)20-15(19-2)21-14(8)23-11;1-5(21)12-10(17)9-11(19-14(18)20-13(9)22-12)6-2-3-7(15)8(16)4-6/h2,5-7,9H,3-4H2,1H3,(H,20,24)(H,21,22,23);2,5-6,9H,3-4,20H2,1H3,(H,21,22,23);4-7H,19H2,1-3H3,(H,20,22)(H,21,23);3-6H,7H2,1-2H3,(H,17,21)(H,18,19,20);3-6H,1-2H3,(H,18,22)(H,19,20,21);2-4H,17H2,1H3,(H2,18,19,20)
InChIKeyLFWKKXZOAWGACJ-UHFFFAOYSA-N
MW2193.89 g/mol
LogP23.60
Rot. Bonds19

About 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide

1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159338772) has the molecular formula C96H81Cl8FN24O8S6 and a molecular weight of 2193.89 g/mol. Its IUPAC name is 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID159338772
Molecular FormulaC96H81Cl8FN24O8S6
Molecular Weight2193.89 g/mol
Exact Mass2188.25
IUPAC Name1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CNC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(NC)nc2s1.CNC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(NC3CC3)nc2s1.CNC(=O)c1cc2c(-c3ccc4c(c3)OCO4)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)cc(-c3ccc(F)c(C)c3)c2c1N
InChIInChI=1S/2C17H14Cl2N4OS.C17H17FN4OS.C16H14N4O3S.C15H12Cl2N4OS.C14H10Cl2N4OS/c1-20-15(24)13-7-10-14(8-2-5-11(18)12(19)6-8)22-17(21-9-3-4-9)23-16(10)25-13;1-7(24)15-13(20)12-14(8-2-5-10(18)11(19)6-8)22-17(21-9-3-4-9)23-16(12)25-15;1-8-6-9(4-5-11(8)18)10-7-12(20-2)22-17-13(10)14(19)15(24-17)16(23)21-3;1-17-14(21)12-6-9-13(19-16(18-2)20-15(9)24-12)8-3-4-10-11(5-8)23-7-22-10;1-18-13(22)11-6-8-12(7-3-4-9(16)10(17)5-7)20-15(19-2)21-14(8)23-11;1-5(21)12-10(17)9-11(19-14(18)20-13(9)22-12)6-2-3-7(15)8(16)4-6/h2,5-7,9H,3-4H2,1H3,(H,20,24)(H,21,22,23);2,5-6,9H,3-4,20H2,1H3,(H,21,22,23);4-7H,19H2,1-3H3,(H,20,22)(H,21,23);3-6H,7H2,1-2H3,(H,17,21)(H,18,19,20);3-6H,1-2H3,(H,18,22)(H,19,20,21);2-4H,17H2,1H3,(H2,18,19,20)
InChIKeyLFWKKXZOAWGACJ-UHFFFAOYSA-N
XLogP23.60
TPSA475.02 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002193.89
LogP ≤ 523.60
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 159338772) is 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CC(=O)c1sc2nc(N)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CNC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(NC)nc2s1.CNC(=O)c1cc2c(-c3ccc(Cl)c(Cl)c3)nc(NC3CC3)nc2s1.CNC(=O)c1cc2c(-c3ccc4c(c3)OCO4)nc(NC)nc2s1.CNC(=O)c1sc2nc(NC)cc(-c3ccc(F)c(C)c3)c2c1N.
What is the InChIKey of 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LFWKKXZOAWGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14Cl2N4OS.C17H17FN4OS.C16H14N4O3S.C15H12Cl2N4OS.C14H10Cl2N4OS/c1-20-15(24)13-7-10-14(8-2-5-11(18)12(19)6-8)22-17(21-9-3-4-9)23-16(10)25-13;1-7(24)15-13(20)12-14(8-2-5-10(18)11(19)6-8)22-17(21-9-3-4-9)23-16(12)25-15;1-8-6-9(4-5-11(8)18)10-7-12(20-2)22-17-13(10)14(19)15(24-17)16(23)21-3;1-17-14(21)12-6-9-13(19-16(18-2)20-15(9)24-12)8-3-4-10-11(5-8)23-7-22-10;1-18-13(22)11-6-8-12(7-3-4-9(16)10(17)5-7)20-15(19-2)21-14(8)23-11;1-5(21)12-10(17)9-11(19-14(18)20-13(9)22-12)6-2-3-7(15)8(16)4-6/h2,5-7,9H,3-4H2,1H3,(H,20,24)(H,21,22,23);2,5-6,9H,3-4,20H2,1H3,(H,21,22,23);4-7H,19H2,1-3H3,(H,20,22)(H,21,23);3-6H,7H2,1-2H3,(H,17,21)(H,18,19,20);3-6H,1-2H3,(H,18,22)(H,19,20,21);2-4H,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 2193.89 g/mol, XLogP of 23.60, 19 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;3-amino-4-(4-fluoro-3-methylphenyl)-N-methyl-6-(methylamino)thieno[2,3-b]pyridine-2-carboxamide;4-(1,3-benzodioxol-5-yl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide;2-(cyclopropylamino)-4-(3,4-dichlorophenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;1-[2,5-diamino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;4-(3,4-dichlorophenyl)-N-methyl-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159338772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).