5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide

C15H12ClN3O2S — CID 9251119

IUPAC5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESCc1sc2ncnc(Oc3ccc(Cl)cc3C(N)=O)c2c1C
InChIInChI=1S/C15H12ClN3O2S/c1-7-8(2)22-15-12(7)14(18-6-19-15)21-11-4-3-9(16)5-10(11)13(17)20/h3-6H,1-2H3,(H2,17,20)
InChIKeyGBHBRPCRLDJJSN-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.85
Rot. Bonds3

About 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide

5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide (PubChem CID 9251119) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
PubChem CID9251119
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
SMILESCc1sc2ncnc(Oc3ccc(Cl)cc3C(N)=O)c2c1C
InChIInChI=1S/C15H12ClN3O2S/c1-7-8(2)22-15-12(7)14(18-6-19-15)21-11-4-3-9(16)5-10(11)13(17)20/h3-6H,1-2H3,(H2,17,20)
InChIKeyGBHBRPCRLDJJSN-UHFFFAOYSA-N
XLogP3.85
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251132
5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251145
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9108843
5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251131
methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-4-methoxybenzoate
CID 9250705
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
CID 63599367
1-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]ethanone
CID 9212485
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2484160

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The IUPAC name of 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide (CID 9251119) is 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide is Cc1sc2ncnc(Oc3ccc(Cl)cc3C(N)=O)c2c1C.
What is the InChIKey of 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
The InChIKey is GBHBRPCRLDJJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c1-7-8(2)22-15-12(7)14(18-6-19-15)21-11-4-3-9(16)5-10(11)13(17)20/h3-6H,1-2H3,(H2,17,20).
What are the key properties of 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide?
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide has a molecular weight of 333.80 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 9251119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).