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

C17H12F3N3OS — CID 1487219

IUPAC5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3OS/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3
InChIKeyAOPVJVWMVRLEIH-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.72
Rot. Bonds4

About 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine

5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine (PubChem CID 1487219) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine.

Molecular Properties

Compound Name5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
PubChem CID1487219
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3N3OS/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3
InChIKeyAOPVJVWMVRLEIH-UHFFFAOYSA-N
XLogP4.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The IUPAC name of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine (CID 1487219) is 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine.
What is the SMILES notation for 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The canonical SMILES for 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine is COc1cnc(-c2ccccn2)nc1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
The InChIKey is AOPVJVWMVRLEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-24-14-10-22-15(13-7-2-3-8-21-13)23-16(14)25-12-6-4-5-11(9-12)17(18,19)20/h2-10H,1H3.
What are the key properties of 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine?
5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine has a molecular weight of 363.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine is sourced from PubChem (CID 1487219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).