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

C10H10N2O2S — CID 90727553

IUPACmethyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(C)c2c1C
InChIInChI=1S/C10H10N2O2S/c1-5-7-6(2)11-4-12-9(7)15-8(5)10(13)14-3/h4H,1-3H3
InChIKeyLTQJLFBKPHQBKI-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.09
Rot. Bonds1

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

methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 90727553) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID90727553
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Namemethyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncnc(C)c2c1C
InChIInChI=1S/C10H10N2O2S/c1-5-7-6(2)11-4-12-9(7)15-8(5)10(13)14-3/h4H,1-3H3
InChIKeyLTQJLFBKPHQBKI-UHFFFAOYSA-N
XLogP2.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-hydroxypropylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28849922
methyl 4-(4-chloroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 20998710
methyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28848426
methyl 5-methyl-4-(4-sulfamoylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 21011133
methyl 4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413295
ethyl 4-(4-methoxycarbonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 1193202
methyl 5-methyl-4-(triazolo[4,5-b]pyridin-3-yloxy)thieno[2,3-d]pyrimidine-6-carboxylate
CID 24750981
ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
dimethyl 5-[(5-methyl-6-propan-2-yloxycarbonylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 21009163
methyl 4-(2-hydroxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21012472
methyl 4-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 95729017
2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21012399

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 90727553) is methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2ncnc(C)c2c1C.
What is the InChIKey of methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is LTQJLFBKPHQBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-5-7-6(2)11-4-12-9(7)15-8(5)10(13)14-3/h4H,1-3H3.
What are the key properties of methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 222.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 90727553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).