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

C12H18N4O — CID 12933916

IUPAC4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C12H18N4O/c1-17-11-9-3-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h13H,2-8H2,1H3
InChIKeyYXJJVIQGOTXNNL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.38
Rot. Bonds2

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

4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 12933916) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID12933916
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCOc1nc(N2CCNCC2)nc2c1CCC2
InChIInChI=1S/C12H18N4O/c1-17-11-9-3-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h13H,2-8H2,1H3
InChIKeyYXJJVIQGOTXNNL-UHFFFAOYSA-N
XLogP0.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 12933916) is 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is COc1nc(N2CCNCC2)nc2c1CCC2.
What is the InChIKey of 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is YXJJVIQGOTXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-11-9-3-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h13H,2-8H2,1H3.
What are the key properties of 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 234.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 12933916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).