4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine

C11H19N5 — CID 24996858

IUPAC4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-11(2,3)8-4-9(15-10(13)14-8)16-5-7(12)6-16/h4,7H,5-6,12H2,1-3H3,(H2,13,14,15)
InChIKeyXPMSZFQHMJGOER-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.50
Rot. Bonds1

About 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine

4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine (PubChem CID 24996858) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine
PubChem CID24996858
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-11(2,3)8-4-9(15-10(13)14-8)16-5-7(12)6-16/h4,7H,5-6,12H2,1-3H3,(H2,13,14,15)
InChIKeyXPMSZFQHMJGOER-UHFFFAOYSA-N
XLogP0.50
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine (CID 24996858) is 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine is CC(C)(C)c1cc(N2CC(N)C2)nc(N)n1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine?
The InChIKey is XPMSZFQHMJGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-11(2,3)8-4-9(15-10(13)14-8)16-5-7(12)6-16/h4,7H,5-6,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine is sourced from PubChem (CID 24996858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).