4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine

C12H7ClF4N2 — CID 107290420

IUPAC4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H7ClF4N2/c1-6-18-10(5-11(13)19-6)7-2-3-9(14)8(4-7)12(15,16)17/h2-5H,1H3
InChIKeyVVLKMRPTSDYWQF-UHFFFAOYSA-N
MW290.65 g/mol
LogP4.26
Rot. Bonds1

About 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine

4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine (PubChem CID 107290420) has the molecular formula C12H7ClF4N2 and a molecular weight of 290.65 g/mol. Its IUPAC name is 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
PubChem CID107290420
Molecular FormulaC12H7ClF4N2
Molecular Weight290.65 g/mol
Exact Mass290.02
IUPAC Name4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H7ClF4N2/c1-6-18-10(5-11(13)19-6)7-2-3-9(14)8(4-7)12(15,16)17/h2-5H,1H3
InChIKeyVVLKMRPTSDYWQF-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.65
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine
CID 114879233
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine-5-carbaldehyde
CID 107290408
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
CID 82299783
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 21025867
6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 107290566
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 107290545
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
CID 156781535
2-cyclopropyl-6-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 107290535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine (CID 107290420) is 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine is Cc1nc(Cl)cc(-c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine?
The InChIKey is VVLKMRPTSDYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4N2/c1-6-18-10(5-11(13)19-6)7-2-3-9(14)8(4-7)12(15,16)17/h2-5H,1H3.
What are the key properties of 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine?
4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine has a molecular weight of 290.65 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrimidine is sourced from PubChem (CID 107290420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).