N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C28H19F3N4O — CID 3282642

IUPACN-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C28H19F3N4O/c29-28(30,31)21-8-4-6-19(16-21)25-17-26(35-27(34-25)20-7-5-15-32-18-20)33-22-11-13-24(14-12-22)36-23-9-2-1-3-10-23/h1-18H,(H,33,34,35)
InChIKeyZTFMSTUIAUJOPW-UHFFFAOYSA-N
MW484.48 g/mol
LogP7.76
Rot. Bonds6

About N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3282642) has the molecular formula C28H19F3N4O and a molecular weight of 484.48 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3282642
Molecular FormulaC28H19F3N4O
Molecular Weight484.48 g/mol
Exact Mass484.15
IUPAC NameN-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)nc(-c3cccnc3)n2)c1
InChIInChI=1S/C28H19F3N4O/c29-28(30,31)21-8-4-6-19(16-21)25-17-26(35-27(34-25)20-7-5-15-32-18-20)33-22-11-13-24(14-12-22)36-23-9-2-1-3-10-23/h1-18H,(H,33,34,35)
InChIKeyZTFMSTUIAUJOPW-UHFFFAOYSA-N
XLogP7.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.48
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenoxyphenyl)-6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 3497943
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 71286698
N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3954774
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3321417
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
N-(4-methoxyphenyl)-6-[5-(4-methoxyphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3590375
2-(3-aminophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 66769396
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
2-methyl-6-[5-(4-methylphenyl)-3-pyridinyl]-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 3677248
N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3282642) is N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1cccc(-c2cc(Nc3ccc(Oc4ccccc4)cc3)nc(-c3cccnc3)n2)c1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ZTFMSTUIAUJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N4O/c29-28(30,31)21-8-4-6-19(16-21)25-17-26(35-27(34-25)20-7-5-15-32-18-20)33-22-11-13-24(14-12-22)36-23-9-2-1-3-10-23/h1-18H,(H,33,34,35).
What are the key properties of N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 484.48 g/mol, XLogP of 7.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3282642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).