N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine

C20H27N3O — CID 127033036

IUPACN,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)14-9-15-24-20-17-12-8-13-18(17)21-19(22-20)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyOSSARWRGUMJPJZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.74
Rot. Bonds8

About N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine

N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine (PubChem CID 127033036) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine
PubChem CID127033036
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)14-9-15-24-20-17-12-8-13-18(17)21-19(22-20)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKeyOSSARWRGUMJPJZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine (CID 127033036) is N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine is CCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCC2.
What is the InChIKey of N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
The InChIKey is OSSARWRGUMJPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(4-2)14-9-15-24-20-17-12-8-13-18(17)21-19(22-20)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine has a molecular weight of 325.46 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine is sourced from PubChem (CID 127033036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).