5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine

C25H31FN6O — CID 90362913

IUPAC5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1ccc2ncc(F)c(CCC34CCC(NCc5cnc(N(C)C)nc5)(CC3)CO4)c2n1
InChIInChI=1S/C25H31FN6O/c1-17-4-5-21-22(31-17)19(20(26)15-27-21)6-7-25-10-8-24(9-11-25,16-33-25)30-14-18-12-28-23(29-13-18)32(2)3/h4-5,12-13,15,30H,6-11,14,16H2,1-3H3
InChIKeyQINLHKHUUJOONV-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.74
Rot. Bonds7

About 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 90362913) has the molecular formula C25H31FN6O and a molecular weight of 450.56 g/mol. Its IUPAC name is 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID90362913
Molecular FormulaC25H31FN6O
Molecular Weight450.56 g/mol
Exact Mass450.25
IUPAC Name5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1ccc2ncc(F)c(CCC34CCC(NCc5cnc(N(C)C)nc5)(CC3)CO4)c2n1
InChIInChI=1S/C25H31FN6O/c1-17-4-5-21-22(31-17)19(20(26)15-27-21)6-7-25-10-8-24(9-11-25,16-33-25)30-14-18-12-28-23(29-13-18)32(2)3/h4-5,12-13,15,30H,6-11,14,16H2,1-3H3
InChIKeyQINLHKHUUJOONV-UHFFFAOYSA-N
XLogP3.74
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine (CID 90362913) is 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine is Cc1ccc2ncc(F)c(CCC34CCC(NCc5cnc(N(C)C)nc5)(CC3)CO4)c2n1.
What is the InChIKey of 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is QINLHKHUUJOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O/c1-17-4-5-21-22(31-17)19(20(26)15-27-21)6-7-25-10-8-24(9-11-25,16-33-25)30-14-18-12-28-23(29-13-18)32(2)3/h4-5,12-13,15,30H,6-11,14,16H2,1-3H3.
What are the key properties of 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 450.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 90362913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).