4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

C18H13F3N2 — CID 154708155

IUPAC4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H13F3N2/c1-12-6-5-9-14(10-12)15-11-16(18(19,20)21)23-17(22-15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyYPPQMJMQTHJSDP-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.14
Rot. Bonds2

About 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine

4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 154708155) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID154708155
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H13F3N2/c1-12-6-5-9-14(10-12)15-11-16(18(19,20)21)23-17(22-15)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyYPPQMJMQTHJSDP-UHFFFAOYSA-N
XLogP5.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
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-6-methyl-2-phenylpyrimidine
CID 598255
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
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 154708155) is 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is Cc1cccc(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is YPPQMJMQTHJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c1-12-6-5-9-14(10-12)15-11-16(18(19,20)21)23-17(22-15)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 314.31 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154708155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).