methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate

C12H11ClN2O2S — CID 103173159

IUPACmethyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ncnc(Cl)c1C
InChIInChI=1S/C12H11ClN2O2S/c1-6-4-18-10(12(16)17-3)8(6)9-7(2)11(13)15-5-14-9/h4-5H,1-3H3
InChIKeyFLMYYFCIFBKMAN-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.26
Rot. Bonds2

About methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate

methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate (PubChem CID 103173159) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
PubChem CID103173159
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Namemethyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ncnc(Cl)c1C
InChIInChI=1S/C12H11ClN2O2S/c1-6-4-18-10(12(16)17-3)8(6)9-7(2)11(13)15-5-14-9/h4-5H,1-3H3
InChIKeyFLMYYFCIFBKMAN-UHFFFAOYSA-N
XLogP3.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173186
methyl 3-(4,5-dimethyl-6-oxo-1H-pyridazin-3-yl)-4-methylthiophene-2-carboxylate
CID 106522809
methyl 4-methyl-3-(2-sulfanylidene-1H-pyrazin-3-yl)thiophene-2-carboxylate
CID 106522822
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
methyl 4-methyl-3-(4-sulfanylidene-3H-phthalazin-1-yl)thiophene-2-carboxylate
CID 106522803
methyl 3-(5-bromo-3-methyltriazol-4-yl)-4-methylthiophene-2-carboxylate
CID 106463173
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
CID 103172987
methyl 3-(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)-4-methylthiophene-2-carboxylate
CID 106522778
methyl 4-methyl-3-(6-sulfanylidene-1H-pyrazin-2-yl)thiophene-2-carboxylate
CID 106522793

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate (CID 103173159) is methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1ncnc(Cl)c1C.
What is the InChIKey of methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
The InChIKey is FLMYYFCIFBKMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-6-4-18-10(12(16)17-3)8(6)9-7(2)11(13)15-5-14-9/h4-5H,1-3H3.
What are the key properties of methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate has a molecular weight of 282.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 103173159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).