4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine

C13H8F6N2 — CID 143532720

IUPAC4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
SMILESCc1nccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H8F6N2/c1-7-20-3-2-11(21-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h2-6H,1H3
InChIKeyPQUWORDNWKKNLP-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.49
Rot. Bonds1

About 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine

4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine (PubChem CID 143532720) has the molecular formula C13H8F6N2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
PubChem CID143532720
Molecular FormulaC13H8F6N2
Molecular Weight306.21 g/mol
Exact Mass306.06
IUPAC Name4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
SMILESCc1nccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H8F6N2/c1-7-20-3-2-11(21-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h2-6H,1H3
InChIKeyPQUWORDNWKKNLP-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2819593
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
2,9-bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline
CID 23400643
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
4-fluoro-2-[3-methyl-5-(trifluoromethyl)phenyl]pyridine
CID 130334912
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 39833676
3-[3,5-bis(trifluoromethyl)phenyl]isoquinoline
CID 138972935
2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
CID 169072353
2,6-dimethylpyrazine;2,6-dimethylpyridine;2,4-dimethylpyrimidine;2,6-dimethyl-4-(trifluoromethyl)pyridine
CID 160979837
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
tert-butyl 4-[4-[3,5-bis(trifluoromethyl)phenyl]pyrimidin-2-yl]piperidine-1-carboxylate
CID 86626634
2-[3,5-bis(trifluoromethyl)phenyl]pyrimidine
CID 54057342

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine?
The IUPAC name of 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine (CID 143532720) is 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine?
The canonical SMILES for 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine is Cc1nccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine?
The InChIKey is PQUWORDNWKKNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2/c1-7-20-3-2-11(21-7)8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h2-6H,1H3.
What are the key properties of 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine?
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine has a molecular weight of 306.21 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine is sourced from PubChem (CID 143532720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).