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

C18H23N3O — CID 127032802

IUPACN,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C18H23N3O/c1-21(2)12-7-13-22-18-15-10-6-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyBBANKPDMSSFEGJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.96
Rot. Bonds6

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

N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine (PubChem CID 127032802) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine
PubChem CID127032802
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1nc(-c2ccccc2)nc2c1CCC2
InChIInChI=1S/C18H23N3O/c1-21(2)12-7-13-22-18-15-10-6-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKeyBBANKPDMSSFEGJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.96
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-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine (CID 127032802) is N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine is CN(C)CCCOc1nc(-c2ccccc2)nc2c1CCC2.
What is the InChIKey of N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
The InChIKey is BBANKPDMSSFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(2)12-7-13-22-18-15-10-6-11-16(15)19-17(20-18)14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]propan-1-amine is sourced from PubChem (CID 127032802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).