4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C16H10F3N3S — CID 1473292

IUPAC4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Sc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H10F3N3S/c17-16(18,19)13-10-14(23-11-6-2-1-3-7-11)22-15(21-13)12-8-4-5-9-20-12/h1-10H
InChIKeyVPTCZAKDARKHLQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.71
Rot. Bonds3

About 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 1473292) has the molecular formula C16H10F3N3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID1473292
Molecular FormulaC16H10F3N3S
Molecular Weight333.34 g/mol
Exact Mass333.05
IUPAC Name4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Sc2ccccc2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H10F3N3S/c17-16(18,19)13-10-14(23-11-6-2-1-3-7-11)22-15(21-13)12-8-4-5-9-20-12/h1-10H
InChIKeyVPTCZAKDARKHLQ-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 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 1473292) is 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Sc2ccccc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is VPTCZAKDARKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3S/c17-16(18,19)13-10-14(23-11-6-2-1-3-7-11)22-15(21-13)12-8-4-5-9-20-12/h1-10H.
What are the key properties of 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine 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 4-phenylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1473292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).