4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H24N4O — CID 12933921

IUPAC4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCCCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C15H24N4O/c1-2-3-11-20-14-12-5-4-6-13(12)17-15(18-14)19-9-7-16-8-10-19/h16H,2-11H2,1H3
InChIKeyGLCQPAMCCCFRJS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.55
Rot. Bonds5

About 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 12933921) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID12933921
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCCCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C15H24N4O/c1-2-3-11-20-14-12-5-4-6-13(12)17-15(18-14)19-9-7-16-8-10-19/h16H,2-11H2,1H3
InChIKeyGLCQPAMCCCFRJS-UHFFFAOYSA-N
XLogP1.55
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 12933921) is 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCCCOc1nc(N2CCNCC2)nc2c1CCC2.
What is the InChIKey of 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is GLCQPAMCCCFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-11-20-14-12-5-4-6-13(12)17-15(18-14)19-9-7-16-8-10-19/h16H,2-11H2,1H3.
What are the key properties of 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 276.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 12933921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).