4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine

C12H9F3N2O — CID 116903673

IUPAC4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2ccnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H9F3N2O/c1-18-9-4-2-8(3-5-9)10-6-7-16-11(17-10)12(13,14)15/h2-7H,1H3
InChIKeyWPXONQDBHHPLQA-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.17
Rot. Bonds2

About 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine

4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine (PubChem CID 116903673) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
PubChem CID116903673
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(-c2ccnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H9F3N2O/c1-18-9-4-2-8(3-5-9)10-6-7-16-11(17-10)12(13,14)15/h2-7H,1H3
InChIKeyWPXONQDBHHPLQA-UHFFFAOYSA-N
XLogP3.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methoxyphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900147
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
4-phenyl-2-(trifluoromethyl)pyrimidine
CID 56956173
4-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidine
CID 116903666
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)pyrimidine
CID 167422581
[4-(4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900321
3-[4-(4-methoxyphenyl)pyrimidin-2-yl]propanenitrile
CID 116901089
2-[3-(4-methoxyphenyl)phenyl]-4-phenylpyrimidine
CID 102598819
5-(4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazole
CID 146168552
4-(4-ethoxyphenyl)-2-methoxypyrimidine
CID 116903760
2-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900144

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine (CID 116903673) is 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine is COc1ccc(-c2ccnc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is WPXONQDBHHPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-18-9-4-2-8(3-5-9)10-6-7-16-11(17-10)12(13,14)15/h2-7H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine?
4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 254.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 116903673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).