4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine

C16H26N4 — CID 63342955

IUPAC4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
SMILESCC(C)(c1nccc(C2CCCC2)n1)N1CCNCC1
InChIInChI=1S/C16H26N4/c1-16(2,20-11-9-17-10-12-20)15-18-8-7-14(19-15)13-5-3-4-6-13/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyWWWOOEWKLPFMMP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.27
Rot. Bonds3

About 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine

4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine (PubChem CID 63342955) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
PubChem CID63342955
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
SMILESCC(C)(c1nccc(C2CCCC2)n1)N1CCNCC1
InChIInChI=1S/C16H26N4/c1-16(2,20-11-9-17-10-12-20)15-18-8-7-14(19-15)13-5-3-4-6-13/h7-8,13,17H,3-6,9-12H2,1-2H3
InChIKeyWWWOOEWKLPFMMP-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
The IUPAC name of 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine (CID 63342955) is 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine.
What is the SMILES notation for 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
The canonical SMILES for 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine is CC(C)(c1nccc(C2CCCC2)n1)N1CCNCC1.
What is the InChIKey of 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
The InChIKey is WWWOOEWKLPFMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-16(2,20-11-9-17-10-12-20)15-18-8-7-14(19-15)13-5-3-4-6-13/h7-8,13,17H,3-6,9-12H2,1-2H3.
What are the key properties of 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine?
4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine is sourced from PubChem (CID 63342955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).