4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid

C11H14N2O2S — CID 83871292

IUPAC4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid
SMILESCCc1nc(SC)nc2c1C(C(=O)O)CC2
InChIInChI=1S/C11H14N2O2S/c1-3-7-9-6(10(14)15)4-5-8(9)13-11(12-7)16-2/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyQEVJKMULFNKGFF-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.88
Rot. Bonds3

About 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid

4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid (PubChem CID 83871292) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid
PubChem CID83871292
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid
SMILESCCc1nc(SC)nc2c1C(C(=O)O)CC2
InChIInChI=1S/C11H14N2O2S/c1-3-7-9-6(10(14)15)4-5-8(9)13-11(12-7)16-2/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyQEVJKMULFNKGFF-UHFFFAOYSA-N
XLogP1.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid (CID 83871292) is 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid is CCc1nc(SC)nc2c1C(C(=O)O)CC2.
What is the InChIKey of 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid?
The InChIKey is QEVJKMULFNKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-7-9-6(10(14)15)4-5-8(9)13-11(12-7)16-2/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid?
4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid has a molecular weight of 238.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83871292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).