4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

C19H25N3O — CID 118723346

IUPAC4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESCCc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O/c1-2-17-15-18(23-14-8-13-22-11-6-7-12-22)21-19(20-17)16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3
InChIKeyVRLGAORERVTZOD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.57
Rot. Bonds7

About 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (PubChem CID 118723346) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
PubChem CID118723346
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESCCc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C19H25N3O/c1-2-17-15-18(23-14-8-13-22-11-6-7-12-22)21-19(20-17)16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3
InChIKeyVRLGAORERVTZOD-UHFFFAOYSA-N
XLogP3.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.57
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 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (CID 118723346) is 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is CCc1cc(OCCCN2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The InChIKey is VRLGAORERVTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-17-15-18(23-14-8-13-22-11-6-7-12-22)21-19(20-17)16-9-4-3-5-10-16/h3-5,9-10,15H,2,6-8,11-14H2,1H3.
What are the key properties of 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine has a molecular weight of 311.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).