4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine

C12H20N6 — CID 54580746

IUPAC4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(N2CCCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C12H20N6/c13-12-15-10(17-5-1-2-6-17)9-11(16-12)18-7-3-14-4-8-18/h9,14H,1-8H2,(H2,13,15,16)
InChIKeyQSIPBARBLQUACT-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.07
Rot. Bonds2

About 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine

4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 54580746) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID54580746
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESNc1nc(N2CCCC2)cc(N2CCNCC2)n1
InChIInChI=1S/C12H20N6/c13-12-15-10(17-5-1-2-6-17)9-11(16-12)18-7-3-14-4-8-18/h9,14H,1-8H2,(H2,13,15,16)
InChIKeyQSIPBARBLQUACT-UHFFFAOYSA-N
XLogP0.07
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 54580746) is 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine is Nc1nc(N2CCCC2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is QSIPBARBLQUACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c13-12-15-10(17-5-1-2-6-17)9-11(16-12)18-7-3-14-4-8-18/h9,14H,1-8H2,(H2,13,15,16).
What are the key properties of 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 54580746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).