2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine

C16H10F3N3S — CID 11450419

IUPAC2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
SMILESFC(F)(F)c1cccc(Sc2ccnc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H
InChIKeyQDQLHDJCSXWHHL-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.71
Rot. Bonds3

About 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine

2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine (PubChem CID 11450419) has the molecular formula C16H10F3N3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
PubChem CID11450419
Molecular FormulaC16H10F3N3S
Molecular Weight333.34 g/mol
Exact Mass333.05
IUPAC Name2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
SMILESFC(F)(F)c1cccc(Sc2ccnc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H
InChIKeyQDQLHDJCSXWHHL-UHFFFAOYSA-N
XLogP4.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The IUPAC name of 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine (CID 11450419) is 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The canonical SMILES for 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine is FC(F)(F)c1cccc(Sc2ccnc(-c3ccccn3)n2)c1.
What is the InChIKey of 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The InChIKey is QDQLHDJCSXWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H.
What are the key properties of 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine has a molecular weight of 333.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine is sourced from PubChem (CID 11450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).