methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C9H7ClN2O2S — CID 2759834

IUPACmethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(Cl)c2c1C
InChIInChI=1S/C9H7ClN2O2S/c1-4-5-7(10)11-3-12-8(5)15-6(4)9(13)14-2/h3H,1-2H3
InChIKeyCUNUJTDTFOTOJA-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.44
Rot. Bonds1

About methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2759834) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID2759834
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Namemethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(Cl)c2c1C
InChIInChI=1S/C9H7ClN2O2S/c1-4-5-7(10)11-3-12-8(5)15-6(4)9(13)14-2/h3H,1-2H3
InChIKeyCUNUJTDTFOTOJA-UHFFFAOYSA-N
XLogP2.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 2759834) is methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2ncnc(Cl)c2c1C.
What is the InChIKey of methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CUNUJTDTFOTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c1-4-5-7(10)11-3-12-8(5)15-6(4)9(13)14-2/h3H,1-2H3.
What are the key properties of methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 242.69 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2759834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).