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

C22H15F3N4O — CID 22732371

IUPACN-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2cccc(Oc3ccccc3)c2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-13-20(29-21(28-19)15-6-5-11-26-14-15)27-16-7-4-10-18(12-16)30-17-8-2-1-3-9-17/h1-14H,(H,27,28,29)
InChIKeyISSCVKUPEZXZGN-UHFFFAOYSA-N
MW408.38 g/mol
LogP6.09
Rot. Bonds5

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

N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 22732371) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID22732371
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC NameN-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(Nc2cccc(Oc3ccccc3)c2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)19-13-20(29-21(28-19)15-6-5-11-26-14-15)27-16-7-4-10-18(12-16)30-17-8-2-1-3-9-17/h1-14H,(H,27,28,29)
InChIKeyISSCVKUPEZXZGN-UHFFFAOYSA-N
XLogP6.09
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 22732371) is N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(Nc2cccc(Oc3ccccc3)c2)nc(-c2cccnc2)n1.
What is the InChIKey of N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ISSCVKUPEZXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)19-13-20(29-21(28-19)15-6-5-11-26-14-15)27-16-7-4-10-18(12-16)30-17-8-2-1-3-9-17/h1-14H,(H,27,28,29).
What are the key properties of N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 408.38 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 22732371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).