2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine

C16H14N2OS — CID 2184557

IUPAC2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine
SMILESc1cnc(SCCOc2cccc3ccccc23)nc1
InChIInChI=1S/C16H14N2OS/c1-2-7-14-13(5-1)6-3-8-15(14)19-11-12-20-16-17-9-4-10-18-16/h1-10H,11-12H2
InChIKeyFZRICGVLOQVALD-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine

2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine (PubChem CID 2184557) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine
PubChem CID2184557
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine
SMILESc1cnc(SCCOc2cccc3ccccc23)nc1
InChIInChI=1S/C16H14N2OS/c1-2-7-14-13(5-1)6-3-8-15(14)19-11-12-20-16-17-9-4-10-18-16/h1-10H,11-12H2
InChIKeyFZRICGVLOQVALD-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine?
The IUPAC name of 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine (CID 2184557) is 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine is c1cnc(SCCOc2cccc3ccccc23)nc1.
What is the InChIKey of 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine?
The InChIKey is FZRICGVLOQVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-7-14-13(5-1)6-3-8-15(14)19-11-12-20-16-17-9-4-10-18-16/h1-10H,11-12H2.
What are the key properties of 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine?
2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine has a molecular weight of 282.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-yloxyethylsulfanyl)pyrimidine is sourced from PubChem (CID 2184557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).