2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine

C13H11F3N2O — CID 119023762

IUPAC2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1ncc(-c2cccc(OC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C13H11F3N2O/c1-8-12(7-17-9(2)18-8)10-4-3-5-11(6-10)19-13(14,15)16/h3-7H,1-2H3
InChIKeyAVLCHLWMJKMPBY-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.66
Rot. Bonds2

About 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine

2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 119023762) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID119023762
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1ncc(-c2cccc(OC(F)(F)F)c2)c(C)n1
InChIInChI=1S/C13H11F3N2O/c1-8-12(7-17-9(2)18-8)10-4-3-5-11(6-10)19-13(14,15)16/h3-7H,1-2H3
InChIKeyAVLCHLWMJKMPBY-UHFFFAOYSA-N
XLogP3.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2-fluoro-5-iodo-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089048

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine (CID 119023762) is 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine is Cc1ncc(-c2cccc(OC(F)(F)F)c2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is AVLCHLWMJKMPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-12(7-17-9(2)18-8)10-4-3-5-11(6-10)19-13(14,15)16/h3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 268.24 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 119023762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).