2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one

C10H16N2O2S — CID 135893852

IUPAC2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCCCO)n1
InChIInChI=1S/C10H16N2O2S/c1-2-4-8-7-9(14)12-10(11-8)15-6-3-5-13/h7,13H,2-6H2,1H3,(H,11,12,14)
InChIKeyJXFJHMYEHXGMPE-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.20
Rot. Bonds6

About 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one

2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135893852) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID135893852
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCCCO)n1
InChIInChI=1S/C10H16N2O2S/c1-2-4-8-7-9(14)12-10(11-8)15-6-3-5-13/h7,13H,2-6H2,1H3,(H,11,12,14)
InChIKeyJXFJHMYEHXGMPE-UHFFFAOYSA-N
XLogP1.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one 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

2-butylsulfanyl-6-propyl-1H-pyrimidin-4-one
CID 135412238
2-(4-Hydroxy-6-propyl-2-pyrimidinylthio)acetamide
CID 135415403
2-Ethylthio-4-hydroxy-6-propylpyrimidine
CID 135402275
2-hexylsulfanyl-4-propyl-1H-pyrimidin-6-one
CID 151217144
2-(Cyclohexylthio)-6-propylpyrimidin-4(3H)-one
CID 135417210
2-(sec-Butylthio)-6-propylpyrimidin-4(3H)-one
CID 135485971
N-tert-butyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135517760
2-((4-Ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135561511
2-(2-methylsulfanylethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 135600162
[(4-Ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetic acid
CID 135704487
2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetic acid
CID 135429860
2-propan-2-ylsulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135561381

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one (CID 135893852) is 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCCCO)n1.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is JXFJHMYEHXGMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-4-8-7-9(14)12-10(11-8)15-6-3-5-13/h7,13H,2-6H2,1H3,(H,11,12,14).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one?
2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 228.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135893852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).