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

C34H31ClN8O3S2 — CID 90925925

IUPAC1-[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
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C17H15ClN4OS.C17H16N4O2S/c1-8(23)15-13(19)12-14(10-4-2-3-5-11(10)18)21-17(20-9-6-7-9)22-16(12)24-15;1-8(22)15-13(18)12-14(9-3-2-4-11(23)7-9)20-17(19-10-5-6-10)21-16(12)24-15/h2-5,9H,6-7,19H2,1H3,(H,20,21,22);2-4,7,10,23H,5-6,18H2,1H3,(H,19,20,21)
InChIKeyFMKLEJPSURMEJD-UHFFFAOYSA-N
MW699.26 g/mol
LogP7.79
Rot. Bonds8

About 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

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 (PubChem CID 90925925) has the molecular formula C34H31ClN8O3S2 and a molecular weight of 699.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID90925925
Molecular FormulaC34H31ClN8O3S2
Molecular Weight699.26 g/mol
Exact Mass698.16
IUPAC Name1-[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
SMILESCC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N
InChIInChI=1S/C17H15ClN4OS.C17H16N4O2S/c1-8(23)15-13(19)12-14(10-4-2-3-5-11(10)18)21-17(20-9-6-7-9)22-16(12)24-15;1-8(22)15-13(18)12-14(9-3-2-4-11(23)7-9)20-17(19-10-5-6-10)21-16(12)24-15/h2-5,9H,6-7,19H2,1H3,(H,20,21,22);2-4,7,10,23H,5-6,18H2,1H3,(H,19,20,21)
InChIKeyFMKLEJPSURMEJD-UHFFFAOYSA-N
XLogP7.79
TPSA182.03 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.26
LogP ≤ 57.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

5-Amino-4-(3-chloro-5-hydroxyphenyl)-2-cyclopropylamino-thieno[2,3-d]pyrimidine-6-carboxamide
CID 56834882
5-Amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57390813
5-Amino-4-(3-chloro-5-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 57392593
5-Amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57392635
5-Amino-4-(4-chloro-3-hydroxyphenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57399562
5-Amino-4-(3-hydroxy-4-methylphenyl)-2-cyclopropylamino-thieno[2,3-d]pyrimidine-6-carboxamide
CID 57399563
1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59646989
1-[5-Amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647015
1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647056
1-[5-Amino-2-(cyclopropylamino)-4-[3-hydroxy-4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647097
1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2R)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647123
5-Amino-2-(cyclopropylamino)-4-(2-fluoro-5-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647133

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3)c2c1N.CC(=O)c1sc2nc(NC3CC3)nc(-c3ccccc3Cl)c2c1N.
What is the InChIKey of 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?
The InChIKey is FMKLEJPSURMEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS.C17H16N4O2S/c1-8(23)15-13(19)12-14(10-4-2-3-5-11(10)18)21-17(20-9-6-7-9)22-16(12)24-15;1-8(22)15-13(18)12-14(9-3-2-4-11(23)7-9)20-17(19-10-5-6-10)21-16(12)24-15/h2-5,9H,6-7,19H2,1H3,(H,20,21,22);2-4,7,10,23H,5-6,18H2,1H3,(H,19,20,21).
What are the key properties of 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?
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 has a molecular weight of 699.26 g/mol, XLogP of 7.79, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90925925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).