5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine

C15H15F3N2O — CID 123427876

IUPAC5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine
SMILESCC(C)C(c1ccc(OC(F)(F)F)cc1)c1cncnc1
InChIInChI=1S/C15H15F3N2O/c1-10(2)14(12-7-19-9-20-8-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-10,14H,1-2H3
InChIKeyIWQBPMMNCAMCNE-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.16
Rot. Bonds4

About 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine

5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine (PubChem CID 123427876) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine.

Molecular Properties

Compound Name5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine
PubChem CID123427876
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine
SMILESCC(C)C(c1ccc(OC(F)(F)F)cc1)c1cncnc1
InChIInChI=1S/C15H15F3N2O/c1-10(2)14(12-7-19-9-20-8-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-10,14H,1-2H3
InChIKeyIWQBPMMNCAMCNE-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
3-methyl-1-pyrimidin-5-yl-2-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 70510380
1-(3-bromobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 66470056
N,2-dimethyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-amine
CID 79298066
1-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 165482366
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 115804926
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
propan-2-ol;trifluoromethoxybenzene
CID 161029707
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine?
The IUPAC name of 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine (CID 123427876) is 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine.
What is the SMILES notation for 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine?
The canonical SMILES for 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine is CC(C)C(c1ccc(OC(F)(F)F)cc1)c1cncnc1.
What is the InChIKey of 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine?
The InChIKey is IWQBPMMNCAMCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-10(2)14(12-7-19-9-20-8-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-10,14H,1-2H3.
What are the key properties of 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine?
5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine has a molecular weight of 296.29 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]pyrimidine is sourced from PubChem (CID 123427876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).