3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine

C15H14F3N5 — CID 156640988

IUPAC3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine
SMILESCCC1=Cc2cnc(Nc3cc(C(F)(F)F)ncn3)cc2NC1
InChIInChI=1S/C15H14F3N5/c1-2-9-3-10-7-20-13(4-11(10)19-6-9)23-14-5-12(15(16,17)18)21-8-22-14/h3-5,7-8,19H,2,6H2,1H3,(H,20,21,22,23)
InChIKeyXNPIZUBJOLBXPE-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.85
Rot. Bonds3

About 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine

3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine (PubChem CID 156640988) has the molecular formula C15H14F3N5 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine
PubChem CID156640988
Molecular FormulaC15H14F3N5
Molecular Weight321.31 g/mol
Exact Mass321.12
IUPAC Name3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine
SMILESCCC1=Cc2cnc(Nc3cc(C(F)(F)F)ncn3)cc2NC1
InChIInChI=1S/C15H14F3N5/c1-2-9-3-10-7-20-13(4-11(10)19-6-9)23-14-5-12(15(16,17)18)21-8-22-14/h3-5,7-8,19H,2,6H2,1H3,(H,20,21,22,23)
InChIKeyXNPIZUBJOLBXPE-UHFFFAOYSA-N
XLogP3.85
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine?
The IUPAC name of 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine (CID 156640988) is 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine.
What is the SMILES notation for 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine?
The canonical SMILES for 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine is CCC1=Cc2cnc(Nc3cc(C(F)(F)F)ncn3)cc2NC1.
What is the InChIKey of 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine?
The InChIKey is XNPIZUBJOLBXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5/c1-2-9-3-10-7-20-13(4-11(10)19-6-9)23-14-5-12(15(16,17)18)21-8-22-14/h3-5,7-8,19H,2,6H2,1H3,(H,20,21,22,23).
What are the key properties of 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine?
3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine has a molecular weight of 321.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[6-(trifluoromethyl)pyrimidin-4-yl]-1,2-dihydro-1,6-naphthyridin-7-amine is sourced from PubChem (CID 156640988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).