1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine

C13H12F4N2 — CID 151890884

IUPAC1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine
SMILESCC1=CC=NCN1Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C13H12F4N2/c1-9-5-6-18-8-19(9)7-10-11(13(15,16)17)3-2-4-12(10)14/h2-6H,7-8H2,1H3
InChIKeySQSAJUBISBKOPT-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.59
Rot. Bonds2

About 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine (PubChem CID 151890884) has the molecular formula C13H12F4N2 and a molecular weight of 272.25 g/mol. Its IUPAC name is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine.

Molecular Properties

Compound Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine
PubChem CID151890884
Molecular FormulaC13H12F4N2
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine
SMILESCC1=CC=NCN1Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C13H12F4N2/c1-9-5-6-18-8-19(9)7-10-11(13(15,16)17)3-2-4-12(10)14/h2-6H,7-8H2,1H3
InChIKeySQSAJUBISBKOPT-UHFFFAOYSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine?
The IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine (CID 151890884) is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine.
What is the SMILES notation for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine?
The canonical SMILES for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine is CC1=CC=NCN1Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine?
The InChIKey is SQSAJUBISBKOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2/c1-9-5-6-18-8-19(9)7-10-11(13(15,16)17)3-2-4-12(10)14/h2-6H,7-8H2,1H3.
What are the key properties of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine?
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine has a molecular weight of 272.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2H-pyrimidine is sourced from PubChem (CID 151890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).