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

C11H12ClN3O2S — CID 82309228

IUPACmethyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(N(C)C)nc(Cl)c2c1C
InChIInChI=1S/C11H12ClN3O2S/c1-5-6-8(12)13-11(15(2)3)14-9(6)18-7(5)10(16)17-4/h1-4H3
InChIKeyDLXWFKZMXNJGOR-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.51
Rot. Bonds2

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

methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 82309228) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID82309228
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Namemethyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(N(C)C)nc(Cl)c2c1C
InChIInChI=1S/C11H12ClN3O2S/c1-5-6-8(12)13-11(15(2)3)14-9(6)18-7(5)10(16)17-4/h1-4H3
InChIKeyDLXWFKZMXNJGOR-UHFFFAOYSA-N
XLogP2.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 82309228) is methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(N(C)C)nc(Cl)c2c1C.
What is the InChIKey of methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is DLXWFKZMXNJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-5-6-8(12)13-11(15(2)3)14-9(6)18-7(5)10(16)17-4/h1-4H3.
What are the key properties of methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 285.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(dimethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 82309228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).