2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

C14H16N2O3S — CID 43514322

IUPAC2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)c(SCc2ccc(C)o2)n1
InChIInChI=1S/C14H16N2O3S/c1-4-11-15-9(3)12(14(17)18)13(16-11)20-7-10-6-5-8(2)19-10/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeySRONRBVKGNWMCB-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.24
Rot. Bonds5

About 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid (PubChem CID 43514322) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
PubChem CID43514322
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)c(SCc2ccc(C)o2)n1
InChIInChI=1S/C14H16N2O3S/c1-4-11-15-9(3)12(14(17)18)13(16-11)20-7-10-6-5-8(2)19-10/h5-6H,4,7H2,1-3H3,(H,17,18)
InChIKeySRONRBVKGNWMCB-UHFFFAOYSA-N
XLogP3.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid (CID 43514322) is 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid is CCc1nc(C)c(C(=O)O)c(SCc2ccc(C)o2)n1.
What is the InChIKey of 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The InChIKey is SRONRBVKGNWMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-11-15-9(3)12(14(17)18)13(16-11)20-7-10-6-5-8(2)19-10/h5-6H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-6-[(5-methylfuran-2-yl)methylsulfanyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43514322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).