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

C24H27N3O — CID 118723342

IUPAC2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESc1ccc(-c2cc(OCCCN3CCCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O/c1-4-11-20(12-5-1)22-19-23(26-24(25-22)21-13-6-2-7-14-21)28-18-10-17-27-15-8-3-9-16-27/h1-2,4-7,11-14,19H,3,8-10,15-18H2
InChIKeyZGONPYARHGTZDM-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.07
Rot. Bonds7

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

2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (PubChem CID 118723342) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
PubChem CID118723342
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
SMILESc1ccc(-c2cc(OCCCN3CCCCC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O/c1-4-11-20(12-5-1)22-19-23(26-24(25-22)21-13-6-2-7-14-21)28-18-10-17-27-15-8-3-9-16-27/h1-2,4-7,11-14,19H,3,8-10,15-18H2
InChIKeyZGONPYARHGTZDM-UHFFFAOYSA-N
XLogP5.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.07
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-piperidin-1-ylpropoxy)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine (CID 118723342) is 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine is c1ccc(-c2cc(OCCCN3CCCCC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
The InChIKey is ZGONPYARHGTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-11-20(12-5-1)22-19-23(26-24(25-22)21-13-6-2-7-14-21)28-18-10-17-27-15-8-3-9-16-27/h1-2,4-7,11-14,19H,3,8-10,15-18H2.
What are the key properties of 2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine?
2,4-diphenyl-6-(3-piperidin-1-ylpropoxy)pyrimidine has a molecular weight of 373.50 g/mol, XLogP of 5.07, 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-piperidin-1-ylpropoxy)pyrimidine is sourced from PubChem (CID 118723342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).