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

C13H13ClN2O2S — CID 103173186

IUPACmethyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1nc(C)nc(Cl)c1C
InChIInChI=1S/C13H13ClN2O2S/c1-6-5-19-11(13(17)18-4)9(6)10-7(2)12(14)16-8(3)15-10/h5H,1-4H3
InChIKeyRHRYIZLOLSTKDC-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.57
Rot. Bonds2

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

methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate (PubChem CID 103173186) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
PubChem CID103173186
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Namemethyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1nc(C)nc(Cl)c1C
InChIInChI=1S/C13H13ClN2O2S/c1-6-5-19-11(13(17)18-4)9(6)10-7(2)12(14)16-8(3)15-10/h5H,1-4H3
InChIKeyRHRYIZLOLSTKDC-UHFFFAOYSA-N
XLogP3.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173159
methyl 3-(4,5-dimethyl-6-oxo-1H-pyridazin-3-yl)-4-methylthiophene-2-carboxylate
CID 106522809
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
methyl 4-methyl-3-(4-sulfanylidene-3H-phthalazin-1-yl)thiophene-2-carboxylate
CID 106522803
methyl 4-methyl-3-(2-sulfanylidene-1H-pyrazin-3-yl)thiophene-2-carboxylate
CID 106522822
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
methyl 3-(4-methoxy-6-oxo-1H-1,3,5-triazin-2-yl)-4-methylthiophene-2-carboxylate
CID 106522778
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 4-chloro-2,6-dimethylpyrimidine-5-carboxylate
CID 115022124
methyl 3-(6-methoxy-4-sulfanylidene-1H-1,3,5-triazin-2-yl)-4-methylthiophene-2-carboxylate
CID 106522819
methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
CID 103172987

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate (CID 103173186) is methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1nc(C)nc(Cl)c1C.
What is the InChIKey of methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
The InChIKey is RHRYIZLOLSTKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-6-5-19-11(13(17)18-4)9(6)10-7(2)12(14)16-8(3)15-10/h5H,1-4H3.
What are the key properties of methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate?
methyl 3-(6-chloro-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate has a molecular weight of 296.78 g/mol, XLogP of 3.57, 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-2,5-dimethylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 103173186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).