3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

C10H14N2O4S — CID 949209

IUPAC3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
SMILESCCCc1c(O)nc(SCCC(=O)O)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-2-3-6-8(15)11-10(12-9(6)16)17-5-4-7(13)14/h2-5H2,1H3,(H,13,14)(H2,11,12,15,16)
InChIKeyRVEPOSJGHSIXBW-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.99
Rot. Bonds6

About 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid

3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid (PubChem CID 949209) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
PubChem CID949209
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
SMILESCCCc1c(O)nc(SCCC(=O)O)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-2-3-6-8(15)11-10(12-9(6)16)17-5-4-7(13)14/h2-5H2,1H3,(H,13,14)(H2,11,12,15,16)
InChIKeyRVEPOSJGHSIXBW-UHFFFAOYSA-N
XLogP0.99
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid?
The IUPAC name of 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid (CID 949209) is 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid is CCCc1c(O)nc(SCCC(=O)O)[nH]c1=O.
What is the InChIKey of 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid?
The InChIKey is RVEPOSJGHSIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-3-6-8(15)11-10(12-9(6)16)17-5-4-7(13)14/h2-5H2,1H3,(H,13,14)(H2,11,12,15,16).
What are the key properties of 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid?
3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 949209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).