4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine

C16H26N6 — CID 14585243

IUPAC4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine
SMILESc1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1
InChIInChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2
InChIKeyXTPTVAPEXHUUDR-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.09
Rot. Bonds3

About 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine

4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine (PubChem CID 14585243) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine
PubChem CID14585243
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine
SMILESc1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1
InChIInChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2
InChIKeyXTPTVAPEXHUUDR-UHFFFAOYSA-N
XLogP1.09
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine (CID 14585243) is 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine is c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1.
What is the InChIKey of 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine?
The InChIKey is XTPTVAPEXHUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2.
What are the key properties of 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine?
4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine has a molecular weight of 302.43 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-2,6-dipyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 14585243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).