2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C17H13F3N2OS2 — CID 134202039

IUPAC2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESO=S(CCc1ccccc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H13F3N2OS2/c18-17(19,20)15-11-13(14-7-4-9-24-14)21-16(22-15)25(23)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
InChIKeyPRNYDPOCIDDRPA-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 134202039) has the molecular formula C17H13F3N2OS2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID134202039
Molecular FormulaC17H13F3N2OS2
Molecular Weight382.43 g/mol
Exact Mass382.04
IUPAC Name2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESO=S(CCc1ccccc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H13F3N2OS2/c18-17(19,20)15-11-13(14-7-4-9-24-14)21-16(22-15)25(23)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2
InChIKeyPRNYDPOCIDDRPA-UHFFFAOYSA-N
XLogP4.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2-(ethylsulfonyl)-4-(2-thienyl)-6-(trifluoromethyl)-
CID 17024838
4-(Benzenesulfinylmethyl)-2-phenyl-6-phenylsulfanylpyrimidine
CID 2769224
2-Methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245258
4-(4-(Methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 23497471
2-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 24205505
2-(4-methylsulfonylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456591
4-Methyl-2-methylsulfonyl-6-thiophen-2-ylpyrimidine
CID 97755228
6-Butylsulfinyl-2,4-diphenylthieno[2,3-d]pyrimidine
CID 118050697
2-(2-Phenylethylsulfonyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 134201967
N-Benzyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 993268
2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 993301
2-(4-Phenyl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1140873

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 134202039) is 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is O=S(CCc1ccccc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is PRNYDPOCIDDRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS2/c18-17(19,20)15-11-13(14-7-4-9-24-14)21-16(22-15)25(23)10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2.
What are the key properties of 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 382.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfinyl)-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134202039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).