6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C22H16F3N3O2 — CID 68628582

IUPAC6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCOc1cccc2cc(-c3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)ccc12
InChIInChI=1S/C22H16F3N3O2/c1-29-20-4-2-3-14-11-15(5-10-18(14)20)19-12-21(27-13-26-19)28-16-6-8-17(9-7-16)30-22(23,24)25/h2-13H,1H3,(H,26,27,28)
InChIKeyUHGLBINWPATDNU-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.95
Rot. Bonds5

About 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 68628582) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID68628582
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC Name6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCOc1cccc2cc(-c3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)ccc12
InChIInChI=1S/C22H16F3N3O2/c1-29-20-4-2-3-14-11-15(5-10-18(14)20)19-12-21(27-13-26-19)28-16-6-8-17(9-7-16)30-22(23,24)25/h2-13H,1H3,(H,26,27,28)
InChIKeyUHGLBINWPATDNU-UHFFFAOYSA-N
XLogP5.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 68628582) is 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is COc1cccc2cc(-c3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)ccc12.
What is the InChIKey of 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is UHGLBINWPATDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c1-29-20-4-2-3-14-11-15(5-10-18(14)20)19-12-21(27-13-26-19)28-16-6-8-17(9-7-16)30-22(23,24)25/h2-13H,1H3,(H,26,27,28).
What are the key properties of 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 411.38 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxynaphthalen-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 68628582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).