1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone

C88H79Cl4F3N20O10S5 — CID 162116981

IUPAC1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)ccc3F)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@@H]3CCOC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(N[C@H]3CCOC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1ccc(F)c(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1
InChIInChI=1S/2C18H16Cl2N4O2S.C18H17FN4O2S.2C17H15FN4O2S/c2*1-8(25)16-14(21)13-15(9-2-3-11(19)12(20)6-9)23-18(24-17(13)27-16)22-10-4-5-26-7-10;1-8(24)16-14(20)13-15(11-7-10(25-2)5-6-12(11)19)22-18(21-9-3-4-9)23-17(13)26-16;1-7(23)15-13(19)12-14(10-6-9(24)4-5-11(10)18)21-17(20-8-2-3-8)22-16(12)25-15;1-7(23)15-13(19)11-14(9-3-2-4-10(24)12(9)18)21-17(20-8-5-6-8)22-16(11)25-15/h2*2-3,6,10H,4-5,7,21H2,1H3,(H,22,23,24);5-7,9H,3-4,20H2,1-2H3,(H,21,22,23);4-6,8,24H,2-3,19H2,1H3,(H,20,21,22);2-4,8,24H,5-6,19H2,1H3,(H,20,21,22)/t2*10-;;;/m10.../s1
InChIKeyZGWZQJRPAIVCOS-FMGGDNQFSA-N
MW1935.87 g/mol
LogP20.29
Rot. Bonds21

About 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 162116981) has the molecular formula C88H79Cl4F3N20O10S5 and a molecular weight of 1935.87 g/mol. Its IUPAC name is 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID162116981
Molecular FormulaC88H79Cl4F3N20O10S5
Molecular Weight1935.87 g/mol
Exact Mass1932.36
IUPAC Name1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)ccc3F)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@@H]3CCOC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(N[C@H]3CCOC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1ccc(F)c(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1
InChIInChI=1S/2C18H16Cl2N4O2S.C18H17FN4O2S.2C17H15FN4O2S/c2*1-8(25)16-14(21)13-15(9-2-3-11(19)12(20)6-9)23-18(24-17(13)27-16)22-10-4-5-26-7-10;1-8(24)16-14(20)13-15(11-7-10(25-2)5-6-12(11)19)22-18(21-9-3-4-9)23-17(13)26-16;1-7(23)15-13(19)12-14(10-6-9(24)4-5-11(10)18)21-17(20-8-2-3-8)22-16(12)25-15;1-7(23)15-13(19)11-14(9-3-2-4-10(24)12(9)18)21-17(20-8-5-6-8)22-16(11)25-15/h2*2-3,6,10H,4-5,7,21H2,1H3,(H,22,23,24);5-7,9H,3-4,20H2,1-2H3,(H,21,22,23);4-6,8,24H,2-3,19H2,1H3,(H,20,21,22);2-4,8,24H,5-6,19H2,1H3,(H,20,21,22)/t2*10-;;;/m10.../s1
InChIKeyZGWZQJRPAIVCOS-FMGGDNQFSA-N
XLogP20.29
TPSA472.65 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.87
LogP ≤ 520.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[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-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 162116981) is 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)ccc3F)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3F)c2c1N.CC(=O)c1sc2nc(N[C@@H]3CCOC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.CC(=O)c1sc2nc(N[C@H]3CCOC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N.COc1ccc(F)c(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1.
What is the InChIKey of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is ZGWZQJRPAIVCOS-FMGGDNQFSA-N. The full InChI is InChI=1S/2C18H16Cl2N4O2S.C18H17FN4O2S.2C17H15FN4O2S/c2*1-8(25)16-14(21)13-15(9-2-3-11(19)12(20)6-9)23-18(24-17(13)27-16)22-10-4-5-26-7-10;1-8(24)16-14(20)13-15(11-7-10(25-2)5-6-12(11)19)22-18(21-9-3-4-9)23-17(13)26-16;1-7(23)15-13(19)12-14(10-6-9(24)4-5-11(10)18)21-17(20-8-2-3-8)22-16(12)25-15;1-7(23)15-13(19)11-14(9-3-2-4-10(24)12(9)18)21-17(20-8-5-6-8)22-16(11)25-15/h2*2-3,6,10H,4-5,7,21H2,1H3,(H,22,23,24);5-7,9H,3-4,20H2,1-2H3,(H,21,22,23);4-6,8,24H,2-3,19H2,1H3,(H,20,21,22);2-4,8,24H,5-6,19H2,1H3,(H,20,21,22)/t2*10-;;;/m10.../s1.
What are the key properties of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 1935.87 g/mol, XLogP of 20.29, 21 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-5-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3R)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 162116981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).