ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate

C9H11F3N2O2 — CID 67283092

IUPACethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate
SMILESCCOC(=O)C1(C)N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C9H11F3N2O2/c1-3-16-7(15)8(2)13-5-4-6(14-8)9(10,11)12/h4-5,14H,3H2,1-2H3
InChIKeyLKDVQBLJCXXTFH-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.39
Rot. Bonds2

About ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate

ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate (PubChem CID 67283092) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate
PubChem CID67283092
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Nameethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate
SMILESCCOC(=O)C1(C)N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C9H11F3N2O2/c1-3-16-7(15)8(2)13-5-4-6(14-8)9(10,11)12/h4-5,14H,3H2,1-2H3
InChIKeyLKDVQBLJCXXTFH-UHFFFAOYSA-N
XLogP1.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-6-(trifluoromethyl)-1H-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate (CID 67283092) is ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate is CCOC(=O)C1(C)N=CC=C(C(F)(F)F)N1.
What is the InChIKey of ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate?
The InChIKey is LKDVQBLJCXXTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-3-16-7(15)8(2)13-5-4-6(14-8)9(10,11)12/h4-5,14H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate?
ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate has a molecular weight of 236.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 67283092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).