4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine

C10H17N5 — CID 59777245

IUPAC4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C10H17N5/c1-6(2)8-3-9(14-10(12)13-8)15-4-7(11)5-15/h3,6-7H,4-5,11H2,1-2H3,(H2,12,13,14)
InChIKeyAKMCDNOSDOZEAA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.33
Rot. Bonds2

About 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine

4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 59777245) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID59777245
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C10H17N5/c1-6(2)8-3-9(14-10(12)13-8)15-4-7(11)5-15/h3,6-7H,4-5,11H2,1-2H3,(H2,12,13,14)
InChIKeyAKMCDNOSDOZEAA-UHFFFAOYSA-N
XLogP0.33
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.33
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-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine (CID 59777245) is 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine is CC(C)c1cc(N2CC(N)C2)nc(N)n1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is AKMCDNOSDOZEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-6(2)8-3-9(14-10(12)13-8)15-4-7(11)5-15/h3,6-7H,4-5,11H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 207.28 g/mol, XLogP of 0.33, 2 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-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 59777245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).