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

C19H9F9N2 — CID 154708159

IUPAC4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H9F9N2/c20-17(21,22)12-5-1-10(2-6-12)14-9-15(19(26,27)28)30-16(29-14)11-3-7-13(8-4-11)18(23,24)25/h1-9H
InChIKeyTWJMDHDAIAVCGW-UHFFFAOYSA-N
MW436.28 g/mol
LogP6.87
Rot. Bonds2

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

4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 154708159) has the molecular formula C19H9F9N2 and a molecular weight of 436.28 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID154708159
Molecular FormulaC19H9F9N2
Molecular Weight436.28 g/mol
Exact Mass436.06
IUPAC Name4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H9F9N2/c20-17(21,22)12-5-1-10(2-6-12)14-9-15(19(26,27)28)30-16(29-14)11-3-7-13(8-4-11)18(23,24)25/h1-9H
InChIKeyTWJMDHDAIAVCGW-UHFFFAOYSA-N
XLogP6.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.28
LogP ≤ 56.87
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 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine (CID 154708159) is 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is TWJMDHDAIAVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F9N2/c20-17(21,22)12-5-1-10(2-6-12)14-9-15(19(26,27)28)30-16(29-14)11-3-7-13(8-4-11)18(23,24)25/h1-9H.
What are the key properties of 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine?
4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 436.28 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,6-bis[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 154708159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).