2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine

C18H10F6N2 — CID 100981574

IUPAC2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H10F6N2/c19-17(20,21)13-8-6-11(7-9-13)14-10-15(18(22,23)24)26-16(25-14)12-4-2-1-3-5-12/h1-10H
InChIKeyNFFKMRWEPCLYPX-UHFFFAOYSA-N
MW368.28 g/mol
LogP5.85
Rot. Bonds2

About 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine

2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 100981574) has the molecular formula C18H10F6N2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID100981574
Molecular FormulaC18H10F6N2
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H10F6N2/c19-17(20,21)13-8-6-11(7-9-13)14-10-15(18(22,23)24)26-16(25-14)12-4-2-1-3-5-12/h1-10H
InChIKeyNFFKMRWEPCLYPX-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-Amino-2,6-diphenylpyrimidine
CID 619020
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(4-Phenylphenyl)pyrimidine
CID 817541
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine (CID 100981574) is 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is NFFKMRWEPCLYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2/c19-17(20,21)13-8-6-11(7-9-13)14-10-15(18(22,23)24)26-16(25-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine?
2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 368.28 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 100981574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).