methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate

C8H7F3N2O2 — CID 91926079

IUPACmethyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-4-3-5(8(9,10)11)13-6(12-4)7(14)15-2/h3H,1-2H3
InChIKeyUZMCVIJUXWDKGB-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.59
Rot. Bonds1

About methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate

methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate (PubChem CID 91926079) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate
PubChem CID91926079
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Namemethyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N2O2/c1-4-3-5(8(9,10)11)13-6(12-4)7(14)15-2/h3H,1-2H3
InChIKeyUZMCVIJUXWDKGB-UHFFFAOYSA-N
XLogP1.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-propionic acid methyl ester
CID 2862961
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid ethyl ester
CID 1827932
Methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 646869
[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-acetic acid methyl ester
CID 694914
Methyl 4,6-dimethylpyrimidine-2-carboxylate
CID 12276698
Methyl 4-(difluoromethyl)pyrimidine-2-carboxylate
CID 89602732
Ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 2305661
1-(4,6-Dimethylpyrimidin-2-yl)ethanone
CID 12385101
Sodium 2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 137703076
4,6-Dimethylpyrimidine-2-carboxylic acid
CID 12276693
[[4,6-Bis(trifluoromethyl)pyrimidin-2-yl]amino] acetate
CID 102251244
4,6-Dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 22594992

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate (CID 91926079) is methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
The InChIKey is UZMCVIJUXWDKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-4-3-5(8(9,10)11)13-6(12-4)7(14)15-2/h3H,1-2H3.
What are the key properties of methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate has a molecular weight of 220.15 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(trifluoromethyl)pyrimidine-2-carboxylate is sourced from PubChem (CID 91926079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).