1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone

C107H105Cl2FN26O9S6 — CID 159895057

IUPAC1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3C)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccncc3)c2c1N.CC(=O)c1sc2nc(NC3CCCCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cc1.COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1F.COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)n1
InChIInChI=1S/C20H20Cl2N4OS.C18H17FN4O2S.C18H18N4O2S.C18H18N4OS.C17H17N5O2S.C16H15N5OS/c1-10(27)18-16(23)15-17(11-7-8-13(21)14(22)9-11)25-20(26-19(15)28-18)24-12-5-3-2-4-6-12;1-8(24)16-14(20)12-15(10-4-3-5-11(25-2)13(10)19)22-18(21-9-6-7-9)23-17(12)26-16;1-9(23)16-14(19)13-15(10-3-7-12(24-2)8-4-10)21-18(20-11-5-6-11)22-17(13)25-16;1-9-5-3-4-6-12(9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-11-7-8-11;1-8(23)15-13(18)12-14(10-4-3-5-11(20-10)24-2)21-17(19-9-6-7-9)22-16(12)25-15;1-8(22)14-12(17)11-13(9-4-6-18-7-5-9)20-16(19-10-2-3-10)21-15(11)23-14/h7-9,12H,2-6,23H2,1H3,(H,24,25,26);3-5,9H,6-7,20H2,1-2H3,(H,21,22,23);3-4,7-8,11H,5-6,19H2,1-2H3,(H,20,21,22);3-6,11H,7-8,19H2,1-2H3,(H,20,21,22);3-5,9H,6-7,18H2,1-2H3,(H,19,21,22);4-7,10H,2-3,17H2,1H3,(H,19,20,21)
InChIKeyNVFUYOAZQIHPTF-UHFFFAOYSA-N
MW2181.50 g/mol
LogP24.04
Rot. Bonds27

About 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 159895057) has the molecular formula C107H105Cl2FN26O9S6 and a molecular weight of 2181.50 g/mol. Its IUPAC name is 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID159895057
Molecular FormulaC107H105Cl2FN26O9S6
Molecular Weight2181.50 g/mol
Exact Mass2178.62
IUPAC Name1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3C)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccncc3)c2c1N.CC(=O)c1sc2nc(NC3CCCCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cc1.COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1F.COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)n1
InChIInChI=1S/C20H20Cl2N4OS.C18H17FN4O2S.C18H18N4O2S.C18H18N4OS.C17H17N5O2S.C16H15N5OS/c1-10(27)18-16(23)15-17(11-7-8-13(21)14(22)9-11)25-20(26-19(15)28-18)24-12-5-3-2-4-6-12;1-8(24)16-14(20)12-15(10-4-3-5-11(25-2)13(10)19)22-18(21-9-6-7-9)23-17(12)26-16;1-9(23)16-14(19)13-15(10-3-7-12(24-2)8-4-10)21-18(20-11-5-6-11)22-17(13)25-16;1-9-5-3-4-6-12(9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-11-7-8-11;1-8(23)15-13(18)12-14(10-4-3-5-11(20-10)24-2)21-17(19-9-6-7-9)22-16(12)25-15;1-8(22)14-12(17)11-13(9-4-6-18-7-5-9)20-16(19-10-2-3-10)21-15(11)23-14/h7-9,12H,2-6,23H2,1H3,(H,24,25,26);3-5,9H,6-7,20H2,1-2H3,(H,21,22,23);3-4,7-8,11H,5-6,19H2,1-2H3,(H,20,21,22);3-6,11H,7-8,19H2,1-2H3,(H,20,21,22);3-5,9H,6-7,18H2,1-2H3,(H,19,21,22);4-7,10H,2-3,17H2,1H3,(H,19,20,21)
InChIKeyNVFUYOAZQIHPTF-UHFFFAOYSA-N
XLogP24.04
TPSA538.87 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds27
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002181.50
LogP ≤ 524.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone (CID 159895057) is 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3C)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccncc3)c2c1N.CC(=O)c1sc2nc(NC3CCCCC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cc1.COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1F.COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)n1.
What is the InChIKey of 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is NVFUYOAZQIHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4OS.C18H17FN4O2S.C18H18N4O2S.C18H18N4OS.C17H17N5O2S.C16H15N5OS/c1-10(27)18-16(23)15-17(11-7-8-13(21)14(22)9-11)25-20(26-19(15)28-18)24-12-5-3-2-4-6-12;1-8(24)16-14(20)12-15(10-4-3-5-11(25-2)13(10)19)22-18(21-9-6-7-9)23-17(12)26-16;1-9(23)16-14(19)13-15(10-3-7-12(24-2)8-4-10)21-18(20-11-5-6-11)22-17(13)25-16;1-9-5-3-4-6-12(9)15-13-14(19)16(10(2)23)24-17(13)22-18(21-15)20-11-7-8-11;1-8(23)15-13(18)12-14(10-4-3-5-11(20-10)24-2)21-17(19-9-6-7-9)22-16(12)25-15;1-8(22)14-12(17)11-13(9-4-6-18-7-5-9)20-16(19-10-2-3-10)21-15(11)23-14/h7-9,12H,2-6,23H2,1H3,(H,24,25,26);3-5,9H,6-7,20H2,1-2H3,(H,21,22,23);3-4,7-8,11H,5-6,19H2,1-2H3,(H,20,21,22);3-6,11H,7-8,19H2,1-2H3,(H,20,21,22);3-5,9H,6-7,18H2,1-2H3,(H,19,21,22);4-7,10H,2-3,17H2,1H3,(H,19,20,21).
What are the key properties of 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 2181.50 g/mol, XLogP of 24.04, 27 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(cyclohexylamino)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 159895057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).