4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine

C18H14F3N3OS — CID 162358723

IUPAC4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccncc2)nc(Sc2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C18H14F3N3OS/c1-11-3-5-13(6-4-11)26-17-14(18(19,20)21)16(25-2)23-15(24-17)12-7-9-22-10-8-12/h3-10H,1-2H3
InChIKeyZGDILEXUGILDMJ-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.03
Rot. Bonds4

About 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine

4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 162358723) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
PubChem CID162358723
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ccncc2)nc(Sc2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C18H14F3N3OS/c1-11-3-5-13(6-4-11)26-17-14(18(19,20)21)16(25-2)23-15(24-17)12-7-9-22-10-8-12/h3-10H,1-2H3
InChIKeyZGDILEXUGILDMJ-UHFFFAOYSA-N
XLogP5.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine (CID 162358723) is 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ccncc2)nc(Sc2ccc(C)cc2)c1C(F)(F)F.
What is the InChIKey of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is ZGDILEXUGILDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-11-3-5-13(6-4-11)26-17-14(18(19,20)21)16(25-2)23-15(24-17)12-7-9-22-10-8-12/h3-10H,1-2H3.
What are the key properties of 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine?
4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 377.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methylphenyl)sulfanyl-2-pyridin-4-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162358723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).