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

C14H22N4O — CID 70578763

IUPAC2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C14H22N4O/c1-2-10-19-13-11-4-3-5-12(11)16-14(17-13)18-8-6-15-7-9-18/h15H,2-10H2,1H3
InChIKeyHAGWTUWABMESPP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.16
Rot. Bonds4

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

2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 70578763) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID70578763
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C14H22N4O/c1-2-10-19-13-11-4-3-5-12(11)16-14(17-13)18-8-6-15-7-9-18/h15H,2-10H2,1H3
InChIKeyHAGWTUWABMESPP-UHFFFAOYSA-N
XLogP1.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 70578763) is 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCCOc1nc(N2CCNCC2)nc2c1CCC2.
What is the InChIKey of 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HAGWTUWABMESPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-10-19-13-11-4-3-5-12(11)16-14(17-13)18-8-6-15-7-9-18/h15H,2-10H2,1H3.
What are the key properties of 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-propoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 70578763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).