ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate

C10H12F2N2O2S — CID 169260278

IUPACethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(SC)nc1C(F)F
InChIInChI=1S/C10H12F2N2O2S/c1-4-16-9(15)6-5(2)13-10(17-3)14-7(6)8(11)12/h8H,4H2,1-3H3
InChIKeyWUAIZOFBUPKHGO-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.62
Rot. Bonds4

About ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate

ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate (PubChem CID 169260278) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
PubChem CID169260278
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Nameethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(SC)nc1C(F)F
InChIInChI=1S/C10H12F2N2O2S/c1-4-16-9(15)6-5(2)13-10(17-3)14-7(6)8(11)12/h8H,4H2,1-3H3
InChIKeyWUAIZOFBUPKHGO-UHFFFAOYSA-N
XLogP2.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate (CID 169260278) is ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(SC)nc1C(F)F.
What is the InChIKey of ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
The InChIKey is WUAIZOFBUPKHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c1-4-16-9(15)6-5(2)13-10(17-3)14-7(6)8(11)12/h8H,4H2,1-3H3.
What are the key properties of ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate?
ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 169260278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).