4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine

C15H10FN3S — CID 11391940

IUPAC4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESFc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H10FN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H
InChIKeyUXMMZJXMIMSPSC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.83
Rot. Bonds3

About 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine

4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 11391940) has the molecular formula C15H10FN3S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID11391940
Molecular FormulaC15H10FN3S
Molecular Weight283.33 g/mol
Exact Mass283.06
IUPAC Name4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESFc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H10FN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H
InChIKeyUXMMZJXMIMSPSC-UHFFFAOYSA-N
XLogP3.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 11391940) is 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine is Fc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is UXMMZJXMIMSPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 283.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 11391940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).