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

C14H10ClN3O2S — CID 59647055

IUPAC1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2ncnc(-c3cc(O)cc(Cl)c3)c2c1N
InChIInChI=1S/C14H10ClN3O2S/c1-6(19)13-11(16)10-12(17-5-18-14(10)21-13)7-2-8(15)4-9(20)3-7/h2-5,20H,16H2,1H3
InChIKeyCEMFWTQUWPWAOA-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.50
Rot. Bonds2

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

1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 59647055) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID59647055
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1sc2ncnc(-c3cc(O)cc(Cl)c3)c2c1N
InChIInChI=1S/C14H10ClN3O2S/c1-6(19)13-11(16)10-12(17-5-18-14(10)21-13)7-2-8(15)4-9(20)3-7/h2-5,20H,16H2,1H3
InChIKeyCEMFWTQUWPWAOA-UHFFFAOYSA-N
XLogP3.50
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-tert-butyl-5-amino-4-(3-hydroxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11531195
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-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 59647055) is 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is CC(=O)c1sc2ncnc(-c3cc(O)cc(Cl)c3)c2c1N.
What is the InChIKey of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is CEMFWTQUWPWAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c1-6(19)13-11(16)10-12(17-5-18-14(10)21-13)7-2-8(15)4-9(20)3-7/h2-5,20H,16H2,1H3.
What are the key properties of 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 319.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-4-(3-chloro-5-hydroxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 59647055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).