4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine

C23H17FN2 — CID 138970566

IUPAC4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine
SMILESCc1cc(F)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H17FN2/c1-16-14-19(24)12-13-20(16)22-15-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyJRFFUTFAUPCYOG-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.93
Rot. Bonds3

About 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine

4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine (PubChem CID 138970566) has the molecular formula C23H17FN2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine
PubChem CID138970566
Molecular FormulaC23H17FN2
Molecular Weight340.40 g/mol
Exact Mass340.14
IUPAC Name4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine
SMILESCc1cc(F)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H17FN2/c1-16-14-19(24)12-13-20(16)22-15-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeyJRFFUTFAUPCYOG-UHFFFAOYSA-N
XLogP5.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.93
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
Revaprazan
CID 204104
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
4-Amino-2,6-diphenylpyrimidine
CID 619020
Revaprazan Hydrochloride
CID 204103
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
4-Cyclohexyl-2-phenylquinazoline
CID 23640938

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine (CID 138970566) is 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine is Cc1cc(F)ccc1-c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine?
The InChIKey is JRFFUTFAUPCYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2/c1-16-14-19(24)12-13-20(16)22-15-21(17-8-4-2-5-9-17)25-23(26-22)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine?
4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine has a molecular weight of 340.40 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 138970566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).