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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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777258
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635

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).