2,4-dibenzylpyrimidine

C18H16N2 — CID 59375877

IUPAC2,4-dibenzylpyrimidine
SMILESc1ccc(Cc2ccnc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)13-17-11-12-19-18(20-17)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyKEPINPYURRXTQN-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.66
Rot. Bonds4

About 2,4-dibenzylpyrimidine

2,4-dibenzylpyrimidine (PubChem CID 59375877) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,4-dibenzylpyrimidine.

Molecular Properties

Compound Name2,4-dibenzylpyrimidine
PubChem CID59375877
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2,4-dibenzylpyrimidine
SMILESc1ccc(Cc2ccnc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)13-17-11-12-19-18(20-17)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyKEPINPYURRXTQN-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dibenzylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzylpyrimidine?
The IUPAC name of 2,4-dibenzylpyrimidine (CID 59375877) is 2,4-dibenzylpyrimidine.
What is the SMILES notation for 2,4-dibenzylpyrimidine?
The canonical SMILES for 2,4-dibenzylpyrimidine is c1ccc(Cc2ccnc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2,4-dibenzylpyrimidine?
The InChIKey is KEPINPYURRXTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-7-15(8-4-1)13-17-11-12-19-18(20-17)14-16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 2,4-dibenzylpyrimidine?
2,4-dibenzylpyrimidine has a molecular weight of 260.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzylpyrimidine is sourced from PubChem (CID 59375877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).