2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid

C10H11F3N2O2S — CID 43514386

IUPAC2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)c(SCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2S/c1-3-6-14-5(2)7(9(16)17)8(15-6)18-4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyVJJGHBBTUWGMMT-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.70
Rot. Bonds4

About 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid

2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid (PubChem CID 43514386) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
PubChem CID43514386
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)c(SCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2S/c1-3-6-14-5(2)7(9(16)17)8(15-6)18-4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyVJJGHBBTUWGMMT-UHFFFAOYSA-N
XLogP2.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid 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

4-methyl-2-propan-2-yl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43513963
2-ethyl-4-methyl-6-octylsulfanylpyrimidine-5-carboxylic acid
CID 43514325
2-ethyl-4-[3-(ethylamino)-3-oxopropyl]sulfanyl-6-methylpyrimidine-5-carboxylic acid
CID 62325820
4-(3-amino-2-methyl-3-oxopropyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514289
4-(2-butoxyethylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 61483132
4-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514403
4-(3-ethoxy-2-hydroxypropyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 63932512
4-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514319
2-ethyl-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 16778338
2-ethyl-4-methyl-6-[(1-methylpyrazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
CID 43514339
2-ethyl-4-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-6-methylpyrimidine-5-carboxylic acid
CID 60883818
2-cyclopropyl-4-(2-hydroxy-2-methylpropyl)sulfanyl-6-methylpyrimidine-5-carboxylic acid
CID 60886719

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid (CID 43514386) is 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid is CCc1nc(C)c(C(=O)O)c(SCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
The InChIKey is VJJGHBBTUWGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-3-6-14-5(2)7(9(16)17)8(15-6)18-4-10(11,12)13/h3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43514386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).