6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C23H16F4N4 — CID 11350757

IUPAC6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFc1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1
InChIInChI=1S/C23H16F4N4/c24-16-7-11-17(12-8-16)30-20-4-2-1-3-19(20)21-13-22(29-14-28-21)31-18-9-5-15(6-10-18)23(25,26)27/h1-14,30H,(H,28,29,31)
InChIKeyBMGDMRPGOSRQHL-UHFFFAOYSA-N
MW424.40 g/mol
LogP6.79
Rot. Bonds5

About 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 11350757) has the molecular formula C23H16F4N4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID11350757
Molecular FormulaC23H16F4N4
Molecular Weight424.40 g/mol
Exact Mass424.13
IUPAC Name6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFc1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1
InChIInChI=1S/C23H16F4N4/c24-16-7-11-17(12-8-16)30-20-4-2-1-3-19(20)21-13-22(29-14-28-21)31-18-9-5-15(6-10-18)23(25,26)27/h1-14,30H,(H,28,29,31)
InChIKeyBMGDMRPGOSRQHL-UHFFFAOYSA-N
XLogP6.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.40
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 11350757) is 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Fc1ccc(Nc2ccccc2-c2cc(Nc3ccc(C(F)(F)F)cc3)ncn2)cc1.
What is the InChIKey of 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is BMGDMRPGOSRQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4/c24-16-7-11-17(12-8-16)30-20-4-2-1-3-19(20)21-13-22(29-14-28-21)31-18-9-5-15(6-10-18)23(25,26)27/h1-14,30H,(H,28,29,31).
What are the key properties of 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 424.40 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoroanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11350757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).