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

C9H10N2O3S — CID 83871933

IUPAC5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESCSc1nc2c(c(C(=O)O)n1)C(O)CC2
InChIInChI=1S/C9H10N2O3S/c1-15-9-10-4-2-3-5(12)6(4)7(11-9)8(13)14/h5,12H,2-3H2,1H3,(H,13,14)
InChIKeyHFILEDZKDLHOHB-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.88
Rot. Bonds2

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

5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid (PubChem CID 83871933) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
PubChem CID83871933
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
SMILESCSc1nc2c(c(C(=O)O)n1)C(O)CC2
InChIInChI=1S/C9H10N2O3S/c1-15-9-10-4-2-3-5(12)6(4)7(11-9)8(13)14/h5,12H,2-3H2,1H3,(H,13,14)
InChIKeyHFILEDZKDLHOHB-UHFFFAOYSA-N
XLogP0.88
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid (CID 83871933) is 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid is CSc1nc2c(c(C(=O)O)n1)C(O)CC2.
What is the InChIKey of 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
The InChIKey is HFILEDZKDLHOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-15-9-10-4-2-3-5(12)6(4)7(11-9)8(13)14/h5,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid?
5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83871933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).