1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

C51H47Cl2N13O5S3 — CID 90835265

IUPAC1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cn1
InChIInChI=1S/C17H15ClN4O2S.C17H15ClN4OS.C17H17N5O2S/c1-7(23)15-13(19)12-14(8-4-9(18)6-11(24)5-8)21-17(20-10-2-3-10)22-16(12)25-15;1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15;1-8(23)15-13(18)12-14(9-3-6-11(24-2)19-7-9)21-17(20-10-4-5-10)22-16(12)25-15/h4-6,10,24H,2-3,19H2,1H3,(H,20,21,22);2-4,7,11H,5-6,19H2,1H3,(H,20,21,22);3,6-7,10H,4-5,18H2,1-2H3,(H,20,21,22)
InChIKeyXPJQGRLIAGBPTM-UHFFFAOYSA-N
MW1089.13 g/mol
LogP11.57
Rot. Bonds13

About 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 90835265) has the molecular formula C51H47Cl2N13O5S3 and a molecular weight of 1089.13 g/mol. Its IUPAC name is 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID90835265
Molecular FormulaC51H47Cl2N13O5S3
Molecular Weight1089.13 g/mol
Exact Mass1087.24
IUPAC Name1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cn1
InChIInChI=1S/C17H15ClN4O2S.C17H15ClN4OS.C17H17N5O2S/c1-7(23)15-13(19)12-14(8-4-9(18)6-11(24)5-8)21-17(20-10-2-3-10)22-16(12)25-15;1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15;1-8(23)15-13(18)12-14(9-3-6-11(24-2)19-7-9)21-17(20-10-4-5-10)22-16(12)25-15/h4-6,10,24H,2-3,19H2,1H3,(H,20,21,22);2-4,7,11H,5-6,19H2,1H3,(H,20,21,22);3,6-7,10H,4-5,18H2,1-2H3,(H,20,21,22)
InChIKeyXPJQGRLIAGBPTM-UHFFFAOYSA-N
XLogP11.57
TPSA285.05 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001089.13
LogP ≤ 511.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-Amino-2-(cyclopropylamino)-4-[3-hydroxy-4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-[3-methoxy-4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 91279664
4-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(2-chloro-4-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-[3-hydroxy-4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-[3-methoxy-4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 157625457
1-[5-Amino-4-(2-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 90925925
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
CID 90974418
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
CID 91026963
1-[5-Amino-4-(3-chloro-5-methoxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 91110008
5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 91110665
1-[5-Amino-2-(cyclopropylamino)-4-(2-fluoro-3-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-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
CID 91418982
1-[5-Amino-4-(4-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(6-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(4-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-phenylmethoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 91514275
5-Amino-2-[[2-[4-[[5-[5-amino-6-carbamoyl-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-2-pyridinyl]oxymethyl]phenyl]cyclopropyl]amino]-4-(4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513592
5-[6-acetyl-5-amino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-4-yl]-1H-pyridin-2-one;1-[5-amino-4-(5-chloro-3-pyridinyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-ethoxy-3-pyridinyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2S)-1-hydroxybutan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[[(2R)-1-hydroxybutan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;sulfane
CID 157635132
1-[5-amino-4-anilino-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(3,4-dichloroanilino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-hydroxy-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)-2-methylthieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[2,5-diamino-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 159702688

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 90835265) is 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(Cl)c3)c2c1N.COc1ccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)cn1.
What is the InChIKey of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is XPJQGRLIAGBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S.C17H15ClN4OS.C17H17N5O2S/c1-7(23)15-13(19)12-14(8-4-9(18)6-11(24)5-8)21-17(20-10-2-3-10)22-16(12)25-15;1-8(23)15-13(19)12-14(9-3-2-4-10(18)7-9)21-17(20-11-5-6-11)22-16(12)24-15;1-8(23)15-13(18)12-14(9-3-6-11(24-2)19-7-9)21-17(20-10-4-5-10)22-16(12)25-15/h4-6,10,24H,2-3,19H2,1H3,(H,20,21,22);2-4,7,11H,5-6,19H2,1H3,(H,20,21,22);3,6-7,10H,4-5,18H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 1089.13 g/mol, XLogP of 11.57, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-2-(cyclopropylamino)-4-(6-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 90835265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).