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

C20H13F3N4 — CID 44820375

IUPAC4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nccc(-c3ccnc4ccccc34)n2)cc1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)13-5-7-14(8-6-13)26-19-25-12-10-18(27-19)16-9-11-24-17-4-2-1-3-15(16)17/h1-12H,(H,25,26,27)
InChIKeyOKUQNGBVKPVEKM-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.45
Rot. Bonds3

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

4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 44820375) has the molecular formula C20H13F3N4 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID44820375
Molecular FormulaC20H13F3N4
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1ccc(Nc2nccc(-c3ccnc4ccccc34)n2)cc1
InChIInChI=1S/C20H13F3N4/c21-20(22,23)13-5-7-14(8-6-13)26-19-25-12-10-18(27-19)16-9-11-24-17-4-2-1-3-15(16)17/h1-12H,(H,25,26,27)
InChIKeyOKUQNGBVKPVEKM-UHFFFAOYSA-N
XLogP5.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 44820375) is 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1ccc(Nc2nccc(-c3ccnc4ccccc34)n2)cc1.
What is the InChIKey of 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is OKUQNGBVKPVEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4/c21-20(22,23)13-5-7-14(8-6-13)26-19-25-12-10-18(27-19)16-9-11-24-17-4-2-1-3-15(16)17/h1-12H,(H,25,26,27).
What are the key properties of 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 366.35 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 44820375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).