2-pyrimidin-2-ylsulfanylpentanoic acid

C9H12N2O2S — CID 83038269

IUPAC2-pyrimidin-2-ylsulfanylpentanoic acid
SMILESCCCC(Sc1ncccn1)C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-2-4-7(8(12)13)14-9-10-5-3-6-11-9/h3,5-7H,2,4H2,1H3,(H,12,13)
InChIKeyRDNPDKURMRHSDX-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.82
Rot. Bonds5

About 2-pyrimidin-2-ylsulfanylpentanoic acid

2-pyrimidin-2-ylsulfanylpentanoic acid (PubChem CID 83038269) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanylpentanoic acid
PubChem CID83038269
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-pyrimidin-2-ylsulfanylpentanoic acid
SMILESCCCC(Sc1ncccn1)C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-2-4-7(8(12)13)14-9-10-5-3-6-11-9/h3,5-7H,2,4H2,1H3,(H,12,13)
InChIKeyRDNPDKURMRHSDX-UHFFFAOYSA-N
XLogP1.82
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyrimidin-2-ylsulfanylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-pyrimidin-2-ylsulfanylhexanoate
CID 115608236
2-(pyridin-2-yldisulfanyl)pentanoic acid
CID 87433027
2-(1-carboxybutylsulfanyl)benzoic acid
CID 71364453
2-quinazolin-4-ylsulfanylpentanoic acid
CID 83038001
2-[(5-amino-2-pyridinyl)sulfanyl]pentanoic acid
CID 83038185
4-amino-2-(5-methylpyrimidin-2-yl)sulfanylbutanoic acid
CID 64695488
(2R)-2-fluoro-2-pyrimidin-2-ylsulfanylacetic acid
CID 1482810
2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-(2-methylfuran-3-yl)sulfanylpentanoic acid
CID 107779094
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
(2R)-2-ethylsulfanylpentanoic acid
CID 1201456
2-(2,5-difluorophenyl)sulfanylpentanoic acid
CID 83037818

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanylpentanoic acid?
The IUPAC name of 2-pyrimidin-2-ylsulfanylpentanoic acid (CID 83038269) is 2-pyrimidin-2-ylsulfanylpentanoic acid.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanylpentanoic acid?
The canonical SMILES for 2-pyrimidin-2-ylsulfanylpentanoic acid is CCCC(Sc1ncccn1)C(=O)O.
What is the InChIKey of 2-pyrimidin-2-ylsulfanylpentanoic acid?
The InChIKey is RDNPDKURMRHSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-4-7(8(12)13)14-9-10-5-3-6-11-9/h3,5-7H,2,4H2,1H3,(H,12,13).
What are the key properties of 2-pyrimidin-2-ylsulfanylpentanoic acid?
2-pyrimidin-2-ylsulfanylpentanoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanylpentanoic acid is sourced from PubChem (CID 83038269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).