N,1-dibenzylpyrimidin-2-imine

C18H17N3 — CID 165352564

IUPACN,1-dibenzylpyrimidin-2-imine
SMILESc1ccc(C/N=c2\ncccn2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N3/c1-3-8-16(9-4-1)14-20-18-19-12-7-13-21(18)15-17-10-5-2-6-11-17/h1-13H,14-15H2/b20-18+
InChIKeyGDWWVSYXGGTYFZ-CZIZESTLSA-N
MW275.36 g/mol
LogP3.03
Rot. Bonds4

About N,1-dibenzylpyrimidin-2-imine

N,1-dibenzylpyrimidin-2-imine (PubChem CID 165352564) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N,1-dibenzylpyrimidin-2-imine.

Molecular Properties

Compound NameN,1-dibenzylpyrimidin-2-imine
PubChem CID165352564
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN,1-dibenzylpyrimidin-2-imine
SMILESc1ccc(C/N=c2\ncccn2Cc2ccccc2)cc1
InChIInChI=1S/C18H17N3/c1-3-8-16(9-4-1)14-20-18-19-12-7-13-21(18)15-17-10-5-2-6-11-17/h1-13H,14-15H2/b20-18+
InChIKeyGDWWVSYXGGTYFZ-CZIZESTLSA-N
XLogP3.03
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dibenzylpyrimidin-2-imine?
The IUPAC name of N,1-dibenzylpyrimidin-2-imine (CID 165352564) is N,1-dibenzylpyrimidin-2-imine.
What is the SMILES notation for N,1-dibenzylpyrimidin-2-imine?
The canonical SMILES for N,1-dibenzylpyrimidin-2-imine is c1ccc(C/N=c2\ncccn2Cc2ccccc2)cc1.
What is the InChIKey of N,1-dibenzylpyrimidin-2-imine?
The InChIKey is GDWWVSYXGGTYFZ-CZIZESTLSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-8-16(9-4-1)14-20-18-19-12-7-13-21(18)15-17-10-5-2-6-11-17/h1-13H,14-15H2/b20-18+.
What are the key properties of N,1-dibenzylpyrimidin-2-imine?
N,1-dibenzylpyrimidin-2-imine has a molecular weight of 275.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzylpyrimidin-2-imine is sourced from PubChem (CID 165352564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).