4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine

C13H21N5 — CID 24798144

IUPAC4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C13H21N5/c14-13-16-11(10-3-1-2-4-10)9-12(17-13)18-7-5-15-6-8-18/h9-10,15H,1-8H2,(H2,14,16,17)
InChIKeyUYXWQSZIUMRFIW-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.13
Rot. Bonds2

About 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine

4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 24798144) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID24798144
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C13H21N5/c14-13-16-11(10-3-1-2-4-10)9-12(17-13)18-7-5-15-6-8-18/h9-10,15H,1-8H2,(H2,14,16,17)
InChIKeyUYXWQSZIUMRFIW-UHFFFAOYSA-N
XLogP1.13
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine (CID 24798144) is 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is UYXWQSZIUMRFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c14-13-16-11(10-3-1-2-4-10)9-12(17-13)18-7-5-15-6-8-18/h9-10,15H,1-8H2,(H2,14,16,17).
What are the key properties of 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine?
4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 24798144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).