4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C18H14F3N3OS — CID 133311585

IUPAC4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C18H14F3N3OS/c1-25-14-8-3-2-6-12(14)11-26-16-10-15(18(19,20)21)23-17(24-16)13-7-4-5-9-22-13/h2-10H,11H2,1H3
InChIKeyHGXYOHNFROLBQB-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.86
Rot. Bonds5

About 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 133311585) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID133311585
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC Name4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C18H14F3N3OS/c1-25-14-8-3-2-6-12(14)11-26-16-10-15(18(19,20)21)23-17(24-16)13-7-4-5-9-22-13/h2-10H,11H2,1H3
InChIKeyHGXYOHNFROLBQB-UHFFFAOYSA-N
XLogP4.86
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
2-[(2-methoxyphenyl)methylsulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133311621
N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 133294081
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 1478446
3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
CID 133370478
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 134115583
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
N-[(2-methoxyphenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584629
N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563768
5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 126775001

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 133311585) is 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is COc1ccccc1CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is HGXYOHNFROLBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c1-25-14-8-3-2-6-12(14)11-26-16-10-15(18(19,20)21)23-17(24-16)13-7-4-5-9-22-13/h2-10H,11H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 377.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133311585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).