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

C11H11F3N2O2S — CID 43419884

IUPAC2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)nc(SCC(F)(F)F)c1C(=O)O
InChIInChI=1S/C11H11F3N2O2S/c1-5-7(10(17)18)9(19-4-11(12,13)14)16-8(15-5)6-2-3-6/h6H,2-4H2,1H3,(H,17,18)
InChIKeyUQEAZRYNDXDBCH-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.02
Rot. Bonds4

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

2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid (PubChem CID 43419884) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
PubChem CID43419884
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)nc(SCC(F)(F)F)c1C(=O)O
InChIInChI=1S/C11H11F3N2O2S/c1-5-7(10(17)18)9(19-4-11(12,13)14)16-8(15-5)6-2-3-6/h6H,2-4H2,1H3,(H,17,18)
InChIKeyUQEAZRYNDXDBCH-UHFFFAOYSA-N
XLogP3.02
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid (CID 43419884) is 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid is Cc1nc(C2CC2)nc(SCC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
The InChIKey is UQEAZRYNDXDBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-5-7(10(17)18)9(19-4-11(12,13)14)16-8(15-5)6-2-3-6/h6H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid?
2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid has a molecular weight of 292.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43419884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).