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

C19H12F6N2 — CID 154708170

IUPAC4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H12F6N2/c1-11-2-4-12(5-3-11)15-10-16(19(23,24)25)27-17(26-15)13-6-8-14(9-7-13)18(20,21)22/h2-10H,1H3
InChIKeyBTEZJNISHNHCCX-UHFFFAOYSA-N
MW382.31 g/mol
LogP6.16
Rot. Bonds2

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

4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 154708170) has the molecular formula C19H12F6N2 and a molecular weight of 382.31 g/mol. Its IUPAC name is 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID154708170
Molecular FormulaC19H12F6N2
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESCc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H12F6N2/c1-11-2-4-12(5-3-11)15-10-16(19(23,24)25)27-17(26-15)13-6-8-14(9-7-13)18(20,21)22/h2-10H,1H3
InChIKeyBTEZJNISHNHCCX-UHFFFAOYSA-N
XLogP6.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.31
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
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
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 154708170) is 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine is Cc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is BTEZJNISHNHCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2/c1-11-2-4-12(5-3-11)15-10-16(19(23,24)25)27-17(26-15)13-6-8-14(9-7-13)18(20,21)22/h2-10H,1H3.
What are the key properties of 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine?
4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 382.31 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 154708170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).