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

C17H12F3N3 — CID 57446828

IUPACN-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H12F3N3/c18-17(19,20)13-8-6-12(7-9-13)15-10-11-21-16(23-15)22-14-4-2-1-3-5-14/h1-11H,(H,21,22,23)
InChIKeyWAROUXUDRJHYAU-UHFFFAOYSA-N
MW315.30 g/mol
LogP4.91
Rot. Bonds3

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

N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 57446828) has the molecular formula C17H12F3N3 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID57446828
Molecular FormulaC17H12F3N3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC NameN-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C17H12F3N3/c18-17(19,20)13-8-6-12(7-9-13)15-10-11-21-16(23-15)22-14-4-2-1-3-5-14/h1-11H,(H,21,22,23)
InChIKeyWAROUXUDRJHYAU-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-(3H-benzimidazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 170970601
4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 104609469
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235722
3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]phenol
CID 170970775
4-(1,3-benzodioxol-5-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 46926516
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 15952108

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 57446828) is N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1ccc(-c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is WAROUXUDRJHYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3/c18-17(19,20)13-8-6-12(7-9-13)15-10-11-21-16(23-15)22-14-4-2-1-3-5-14/h1-11H,(H,21,22,23).
What are the key properties of N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 315.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 57446828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).