5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine

C13H17FN4 — CID 67656665

IUPAC5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESCN1CCC2(CC1)N=C(N)c1c(F)cccc1N2
InChIInChI=1S/C13H17FN4/c1-18-7-5-13(6-8-18)16-10-4-2-3-9(14)11(10)12(15)17-13/h2-4,16H,5-8H2,1H3,(H2,15,17)
InChIKeyUOGKKXBZYUZZDV-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.38
Rot. Bonds

About 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine

5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine (PubChem CID 67656665) has the molecular formula C13H17FN4 and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
PubChem CID67656665
Molecular FormulaC13H17FN4
Molecular Weight248.30 g/mol
Exact Mass248.14
IUPAC Name5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
SMILESCN1CCC2(CC1)N=C(N)c1c(F)cccc1N2
InChIInChI=1S/C13H17FN4/c1-18-7-5-13(6-8-18)16-10-4-2-3-9(14)11(10)12(15)17-13/h2-4,16H,5-8H2,1H3,(H2,15,17)
InChIKeyUOGKKXBZYUZZDV-UHFFFAOYSA-N
XLogP1.38
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The IUPAC name of 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine (CID 67656665) is 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine.
What is the SMILES notation for 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The canonical SMILES for 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine is CN1CCC2(CC1)N=C(N)c1c(F)cccc1N2.
What is the InChIKey of 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
The InChIKey is UOGKKXBZYUZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-18-7-5-13(6-8-18)16-10-4-2-3-9(14)11(10)12(15)17-13/h2-4,16H,5-8H2,1H3,(H2,15,17).
What are the key properties of 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine?
5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine has a molecular weight of 248.30 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-methylspiro[1H-quinazoline-2,4'-piperidine]-4-amine is sourced from PubChem (CID 67656665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).