4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine

C12H19N5 — CID 24797956

IUPAC4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CC(N)C2)n1
InChIInChI=1S/C12H19N5/c13-9-6-17(7-9)11-5-10(15-12(14)16-11)8-3-1-2-4-8/h5,8-9H,1-4,6-7,13H2,(H2,14,15,16)
InChIKeyDMQGRIJTXNTELD-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.86
Rot. Bonds2

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

4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine (PubChem CID 24797956) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine
PubChem CID24797956
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CC(N)C2)n1
InChIInChI=1S/C12H19N5/c13-9-6-17(7-9)11-5-10(15-12(14)16-11)8-3-1-2-4-8/h5,8-9H,1-4,6-7,13H2,(H2,14,15,16)
InChIKeyDMQGRIJTXNTELD-UHFFFAOYSA-N
XLogP0.86
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.86
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-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine (CID 24797956) is 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine?
The InChIKey is DMQGRIJTXNTELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-9-6-17(7-9)11-5-10(15-12(14)16-11)8-3-1-2-4-8/h5,8-9H,1-4,6-7,13H2,(H2,14,15,16).
What are the key properties of 4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-6-cyclopentylpyrimidin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 0.86, 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-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 24797956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).