4-cyclopentylsulfanylpyrimidine-2-carboxylic acid

C10H12N2O2S — CID 130588092

IUPAC4-cyclopentylsulfanylpyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(SC2CCCC2)n1
InChIInChI=1S/C10H12N2O2S/c13-10(14)9-11-6-5-8(12-9)15-7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14)
InChIKeyFUHCPJNRLIUWNQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.21
Rot. Bonds3

About 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid

4-cyclopentylsulfanylpyrimidine-2-carboxylic acid (PubChem CID 130588092) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentylsulfanylpyrimidine-2-carboxylic acid
PubChem CID130588092
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-cyclopentylsulfanylpyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(SC2CCCC2)n1
InChIInChI=1S/C10H12N2O2S/c13-10(14)9-11-6-5-8(12-9)15-7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14)
InChIKeyFUHCPJNRLIUWNQ-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylsulfanylpyrimidin-2-yl)hydrazine
CID 80922698
4-cyclohexylsulfanylpyridine-2-carboxylic acid
CID 60872683
(2-cyclohexylsulfanyl-4-pyridinyl)methanamine
CID 60887048
2-(oxan-4-ylsulfanyl)pyridine-4-carboxylic acid
CID 55208597
2-chloro-6-cyclopentylsulfanylbenzoic acid
CID 63115684
2-(1-methylpiperidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 138591006
(6-cyclopentylsulfanyl-2-pyridinyl)methanol
CID 90118065
2-bromo-6-cyclopentylsulfanylpyridine
CID 63963685
2-cycloheptylsulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 82925766
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
2-cyclobutylpyrimidine-4-carboxylic acid
CID 64985955
3-cyclopentylsulfanylisoquinoline
CID 132603218

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid (CID 130588092) is 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid is O=C(O)c1nccc(SC2CCCC2)n1.
What is the InChIKey of 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid?
The InChIKey is FUHCPJNRLIUWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-10(14)9-11-6-5-8(12-9)15-7-3-1-2-4-7/h5-7H,1-4H2,(H,13,14).
What are the key properties of 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid?
4-cyclopentylsulfanylpyrimidine-2-carboxylic acid has a molecular weight of 224.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 130588092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).