2-decylsulfanyl-1H-pyrimidin-6-one

C14H24N2OS — CID 23239691

IUPAC2-decylsulfanyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCSc1nccc(=O)[nH]1
InChIInChI=1S/C14H24N2OS/c1-2-3-4-5-6-7-8-9-12-18-14-15-11-10-13(17)16-14/h10-11H,2-9,12H2,1H3,(H,15,16,17)
InChIKeySKJKDODYUZAYGQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.00
Rot. Bonds10

About 2-decylsulfanyl-1H-pyrimidin-6-one

2-decylsulfanyl-1H-pyrimidin-6-one (PubChem CID 23239691) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-decylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-decylsulfanyl-1H-pyrimidin-6-one
PubChem CID23239691
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-decylsulfanyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCSc1nccc(=O)[nH]1
InChIInChI=1S/C14H24N2OS/c1-2-3-4-5-6-7-8-9-12-18-14-15-11-10-13(17)16-14/h10-11H,2-9,12H2,1H3,(H,15,16,17)
InChIKeySKJKDODYUZAYGQ-UHFFFAOYSA-N
XLogP4.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-decylsulfanyl-1H-pyrimidin-6-one (CID 23239691) is 2-decylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-decylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-decylsulfanyl-1H-pyrimidin-6-one is CCCCCCCCCCSc1nccc(=O)[nH]1.
What is the InChIKey of 2-decylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is SKJKDODYUZAYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-3-4-5-6-7-8-9-12-18-14-15-11-10-13(17)16-14/h10-11H,2-9,12H2,1H3,(H,15,16,17).
What are the key properties of 2-decylsulfanyl-1H-pyrimidin-6-one?
2-decylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 268.43 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 23239691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).