1-propyl-2-sulfanylidenepyrimidin-4-one

C7H10N2OS — CID 15818192

IUPAC1-propyl-2-sulfanylidenepyrimidin-4-one
SMILESCCCn1ccc(=O)[nH]c1=S
InChIInChI=1S/C7H10N2OS/c1-2-4-9-5-3-6(10)8-7(9)11/h3,5H,2,4H2,1H3,(H,8,10,11)
InChIKeyHPJCTUJOHKGFNI-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.32
Rot. Bonds2

About 1-propyl-2-sulfanylidenepyrimidin-4-one

1-propyl-2-sulfanylidenepyrimidin-4-one (PubChem CID 15818192) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-propyl-2-sulfanylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-propyl-2-sulfanylidenepyrimidin-4-one
PubChem CID15818192
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-propyl-2-sulfanylidenepyrimidin-4-one
SMILESCCCn1ccc(=O)[nH]c1=S
InChIInChI=1S/C7H10N2OS/c1-2-4-9-5-3-6(10)8-7(9)11/h3,5H,2,4H2,1H3,(H,8,10,11)
InChIKeyHPJCTUJOHKGFNI-UHFFFAOYSA-N
XLogP1.32
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-sulfanylidenepyrimidin-4-one?
The IUPAC name of 1-propyl-2-sulfanylidenepyrimidin-4-one (CID 15818192) is 1-propyl-2-sulfanylidenepyrimidin-4-one.
What is the SMILES notation for 1-propyl-2-sulfanylidenepyrimidin-4-one?
The canonical SMILES for 1-propyl-2-sulfanylidenepyrimidin-4-one is CCCn1ccc(=O)[nH]c1=S.
What is the InChIKey of 1-propyl-2-sulfanylidenepyrimidin-4-one?
The InChIKey is HPJCTUJOHKGFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-4-9-5-3-6(10)8-7(9)11/h3,5H,2,4H2,1H3,(H,8,10,11).
What are the key properties of 1-propyl-2-sulfanylidenepyrimidin-4-one?
1-propyl-2-sulfanylidenepyrimidin-4-one has a molecular weight of 170.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-sulfanylidenepyrimidin-4-one is sourced from PubChem (CID 15818192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).