2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine

C13H11F3N2O2 — CID 162537578

IUPAC2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)nc(OC)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-11-7-10(17-12(18-11)20-2)8-3-5-9(6-4-8)13(14,15)16/h3-7H,1-2H3
InChIKeyPQZXFHWFEUKVDR-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.18
Rot. Bonds3

About 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine

2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 162537578) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID162537578
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)nc(OC)n1
InChIInChI=1S/C13H11F3N2O2/c1-19-11-7-10(17-12(18-11)20-2)8-3-5-9(6-4-8)13(14,15)16/h3-7H,1-2H3
InChIKeyPQZXFHWFEUKVDR-UHFFFAOYSA-N
XLogP3.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[4-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]oxy-3,3-diphenylpropanoic acid
CID 142653066
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 10105857
ethane;2-[2-(4-fluorophenyl)-6-methoxy-4-pyridinyl]propan-2-amine
CID 170582374
methyl 2-fluoro-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 133089873
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
CID 141138716
2-bromo-6-methoxy-4-(trifluoromethyl)pyridine
CID 129248998
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
[2-ethoxy-6-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 90390025
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 162537578) is 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine is COc1cc(-c2ccc(C(F)(F)F)cc2)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is PQZXFHWFEUKVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-19-11-7-10(17-12(18-11)20-2)8-3-5-9(6-4-8)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine?
2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 284.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 162537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).