2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

C23H25N3O — CID 118723352

IUPAC2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESc1ccc(-c2cc(OCCCN3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O/c1-3-10-19(11-4-1)21-18-22(27-17-9-16-26-14-7-8-15-26)25-23(24-21)20-12-5-2-6-13-20/h1-6,10-13,18H,7-9,14-17H2
InChIKeyABDLPEZEFXJPFP-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.68
Rot. Bonds7

About 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine

2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (PubChem CID 118723352) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
PubChem CID118723352
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
SMILESc1ccc(-c2cc(OCCCN3CCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O/c1-3-10-19(11-4-1)21-18-22(27-17-9-16-26-14-7-8-15-26)25-23(24-21)20-12-5-2-6-13-20/h1-6,10-13,18H,7-9,14-17H2
InChIKeyABDLPEZEFXJPFP-UHFFFAOYSA-N
XLogP4.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.68
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 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine (CID 118723352) is 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is c1ccc(-c2cc(OCCCN3CCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
The InChIKey is ABDLPEZEFXJPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-10-19(11-4-1)21-18-22(27-17-9-16-26-14-7-8-15-26)25-23(24-21)20-12-5-2-6-13-20/h1-6,10-13,18H,7-9,14-17H2.
What are the key properties of 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine?
2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine has a molecular weight of 359.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).