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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Related Compounds

methyl 4-chloro-2-(cyclopropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 82309438
methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133356134
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 90727553
methyl 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 2657450
4-chloro-2-(cyclopropylamino)-N,N,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 95507192
methyl 2-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8602593
methyl 5-methyl-4-oxo-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 8586661
2-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122058347
methyl 4-chloro-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylate
CID 79073332
methyl 4-(cyclooctylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8002219
methyl 4-(cycloheptylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8004574

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).