2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine

C19H14F4N2O3S — CID 69159158

IUPAC2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2nc(OCc3ccc(F)cc3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O3S/c1-29(26,27)15-8-4-13(5-9-15)17-16(19(21,22)23)10-24-18(25-17)28-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3
InChIKeyNSHJTLUNRASPQA-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.28
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine

2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 69159158) has the molecular formula C19H14F4N2O3S and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine
PubChem CID69159158
Molecular FormulaC19H14F4N2O3S
Molecular Weight426.39 g/mol
Exact Mass426.07
IUPAC Name2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2nc(OCc3ccc(F)cc3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C19H14F4N2O3S/c1-29(26,27)15-8-4-13(5-9-15)17-16(19(21,22)23)10-24-18(25-17)28-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3
InChIKeyNSHJTLUNRASPQA-UHFFFAOYSA-N
XLogP4.28
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine (CID 69159158) is 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1ccc(-c2nc(OCc3ccc(F)cc3)ncc2C(F)(F)F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is NSHJTLUNRASPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O3S/c1-29(26,27)15-8-4-13(5-9-15)17-16(19(21,22)23)10-24-18(25-17)28-11-12-2-6-14(20)7-3-12/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine?
2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 426.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 69159158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).