2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine

C14H15FN2OS — CID 2200018

IUPAC2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine
SMILESFc1ccccc1OCCCCSc1ncccn1
InChIInChI=1S/C14H15FN2OS/c15-12-6-1-2-7-13(12)18-10-3-4-11-19-14-16-8-5-9-17-14/h1-2,5-9H,3-4,10-11H2
InChIKeyVCOHFUQHACDAHD-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.57
Rot. Bonds7

About 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine

2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine (PubChem CID 2200018) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine
PubChem CID2200018
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine
SMILESFc1ccccc1OCCCCSc1ncccn1
InChIInChI=1S/C14H15FN2OS/c15-12-6-1-2-7-13(12)18-10-3-4-11-19-14-16-8-5-9-17-14/h1-2,5-9H,3-4,10-11H2
InChIKeyVCOHFUQHACDAHD-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.57
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-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine?
The IUPAC name of 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine (CID 2200018) is 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine?
The canonical SMILES for 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine is Fc1ccccc1OCCCCSc1ncccn1.
What is the InChIKey of 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine?
The InChIKey is VCOHFUQHACDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-12-6-1-2-7-13(12)18-10-3-4-11-19-14-16-8-5-9-17-14/h1-2,5-9H,3-4,10-11H2.
What are the key properties of 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine?
2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine has a molecular weight of 278.35 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)butylsulfanyl]pyrimidine is sourced from PubChem (CID 2200018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).