6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine

C11H16FN3O — CID 126724296

IUPAC6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1ncnc(NC2COC2)c1F
InChIInChI=1S/C11H16FN3O/c1-11(2,3)9-8(12)10(14-6-13-9)15-7-4-16-5-7/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyXJQLSGPMKXFZTK-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.72
Rot. Bonds2

About 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine

6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 126724296) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID126724296
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1ncnc(NC2COC2)c1F
InChIInChI=1S/C11H16FN3O/c1-11(2,3)9-8(12)10(14-6-13-9)15-7-4-16-5-7/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyXJQLSGPMKXFZTK-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine (CID 126724296) is 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine is CC(C)(C)c1ncnc(NC2COC2)c1F.
What is the InChIKey of 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is XJQLSGPMKXFZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2,3)9-8(12)10(14-6-13-9)15-7-4-16-5-7/h6-7H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 126724296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).