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

C10H9ClN2O2S — CID 2103964

IUPACethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C2=C(S1)N=CN=C2Cl)C
InChIInChI=1S/C10H9ClN2O2S/c1-3-15-10(14)7-5(2)6-8(11)12-4-13-9(6)16-7/h4H,3H2,1-2H3
InChIKeyFIIBPXMYXHXUPI-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.40
Rot. Bonds3

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

Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 2103964) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound NameEthyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID2103964
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Nameethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C2=C(S1)N=CN=C2Cl)C
InChIInChI=1S/C10H9ClN2O2S/c1-3-15-10(14)7-5(2)6-8(11)12-4-13-9(6)16-7/h4H,3H2,1-2H3
InChIKeyFIIBPXMYXHXUPI-UHFFFAOYSA-N
XLogP3.40
TPSA80.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity280

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 658409
Ethyl 4-(2-amino-2-oxoethyl)sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2413168
Ethyl 4-(4-ethylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 714518
Ethyl 5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733150
Ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 3236381
Ethyl 4-chloro-5-methyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2526717
Ethyl 2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4084525
Ethyl 4-amino-2-(2-methoxy-2-oxoethyl)-5-methylthieno(2,3-d)pyrimidine-6-carboxylate
CID 16227349
4-Amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 405890
Methyl 4-chloro-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2759834
Methyl 4-chloro-2,5-dimethylthieno(2,3-d)pyrimidine-6-carboxylate
CID 3720661
Ethyl 2-amino-4-chlorothieno(2,3-d)pyrimidine-6-carboxylate
CID 16096301

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 2103964) is ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C2=C(S1)N=CN=C2Cl)C.
What is the InChIKey of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FIIBPXMYXHXUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-3-15-10(14)7-5(2)6-8(11)12-4-13-9(6)16-7/h4H,3H2,1-2H3.
What are the key properties of Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 256.71 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 2103964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).