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

C13H20N4O — CID 12933918

IUPAC4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C13H20N4O/c1-2-18-12-10-4-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17/h14H,2-9H2,1H3
InChIKeyXFQQSIJIAQLGIH-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds3

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

4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 12933918) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID12933918
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C13H20N4O/c1-2-18-12-10-4-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17/h14H,2-9H2,1H3
InChIKeyXFQQSIJIAQLGIH-UHFFFAOYSA-N
XLogP0.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 12933918) is 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCOc1nc(N2CCNCC2)nc2c1CCC2.
What is the InChIKey of 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is XFQQSIJIAQLGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-18-12-10-4-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17/h14H,2-9H2,1H3.
What are the key properties of 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 248.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 12933918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).