4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine

C20H25N3O2 — CID 127032800

IUPAC4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine
SMILESc1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCC3)cc1
InChIInChI=1S/C20H25N3O2/c1-2-6-16(7-3-1)19-21-18-9-4-8-17(18)20(22-19)25-13-5-10-23-11-14-24-15-12-23/h1-3,6-7H,4-5,8-15H2
InChIKeyILQZANJOTXRZBO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

About 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine

4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine (PubChem CID 127032800) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine
PubChem CID127032800
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine
SMILESc1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCC3)cc1
InChIInChI=1S/C20H25N3O2/c1-2-6-16(7-3-1)19-21-18-9-4-8-17(18)20(22-19)25-13-5-10-23-11-14-24-15-12-23/h1-3,6-7H,4-5,8-15H2
InChIKeyILQZANJOTXRZBO-UHFFFAOYSA-N
XLogP2.73
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine?
The IUPAC name of 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine (CID 127032800) is 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine?
The canonical SMILES for 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine is c1ccc(-c2nc3c(c(OCCCN4CCOCC4)n2)CCC3)cc1.
What is the InChIKey of 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine?
The InChIKey is ILQZANJOTXRZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-6-16(7-3-1)19-21-18-9-4-8-17(18)20(22-19)25-13-5-10-23-11-14-24-15-12-23/h1-3,6-7H,4-5,8-15H2.
What are the key properties of 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine?
4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine has a molecular weight of 339.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propyl]morpholine is sourced from PubChem (CID 127032800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).