2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid

C10H13FN2O2S — CID 80698708

IUPAC2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)c(SCCF)n1
InChIInChI=1S/C10H13FN2O2S/c1-3-7-12-6(2)8(10(14)15)9(13-7)16-5-4-11/h3-5H2,1-2H3,(H,14,15)
InChIKeyNWZUPIFQCIEMME-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.11
Rot. Bonds5

About 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid

2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 80698708) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID80698708
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)c(SCCF)n1
InChIInChI=1S/C10H13FN2O2S/c1-3-7-12-6(2)8(10(14)15)9(13-7)16-5-4-11/h3-5H2,1-2H3,(H,14,15)
InChIKeyNWZUPIFQCIEMME-UHFFFAOYSA-N
XLogP2.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid (CID 80698708) is 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid is CCc1nc(C)c(C(=O)O)c(SCCF)n1.
What is the InChIKey of 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is NWZUPIFQCIEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-3-7-12-6(2)8(10(14)15)9(13-7)16-5-4-11/h3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluoroethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 80698708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).