4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

C27H24F3N5 — CID 11677248

IUPAC4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(N2CCCc3ccc(-c4ccccc4)nc32)nc(NCCc2ccccc2)n1
InChIInChI=1S/C27H24F3N5/c28-27(29,30)23-18-24(34-26(33-23)31-16-15-19-8-3-1-4-9-19)35-17-7-12-21-13-14-22(32-25(21)35)20-10-5-2-6-11-20/h1-6,8-11,13-14,18H,7,12,15-17H2,(H,31,33,34)
InChIKeyPURVGPGCXHWAFS-UHFFFAOYSA-N
MW475.52 g/mol
LogP6.30
Rot. Bonds6

About 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 11677248) has the molecular formula C27H24F3N5 and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID11677248
Molecular FormulaC27H24F3N5
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cc(N2CCCc3ccc(-c4ccccc4)nc32)nc(NCCc2ccccc2)n1
InChIInChI=1S/C27H24F3N5/c28-27(29,30)23-18-24(34-26(33-23)31-16-15-19-8-3-1-4-9-19)35-17-7-12-21-13-14-22(32-25(21)35)20-10-5-2-6-11-20/h1-6,8-11,13-14,18H,7,12,15-17H2,(H,31,33,34)
InChIKeyPURVGPGCXHWAFS-UHFFFAOYSA-N
XLogP6.30
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 11677248) is 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cc(N2CCCc3ccc(-c4ccccc4)nc32)nc(NCCc2ccccc2)n1.
What is the InChIKey of 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PURVGPGCXHWAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5/c28-27(29,30)23-18-24(34-26(33-23)31-16-15-19-8-3-1-4-9-19)35-17-7-12-21-13-14-22(32-25(21)35)20-10-5-2-6-11-20/h1-6,8-11,13-14,18H,7,12,15-17H2,(H,31,33,34).
What are the key properties of 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 475.52 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)-N-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 11677248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).