2-benzylpyrimidine

C11H10N2 — CID 13143744

IUPAC2-benzylpyrimidine
SMILESc1ccc(Cc2ncccn2)cc1
InChIInChI=1S/C11H10N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-8H,9H2
InChIKeyOOLOAWZLPBDRJQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.07
Rot. Bonds2

About 2-benzylpyrimidine

2-benzylpyrimidine (PubChem CID 13143744) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-benzylpyrimidine.

Molecular Properties

Compound Name2-benzylpyrimidine
PubChem CID13143744
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-benzylpyrimidine
SMILESc1ccc(Cc2ncccn2)cc1
InChIInChI=1S/C11H10N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-8H,9H2
InChIKeyOOLOAWZLPBDRJQ-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylpyrimidine?
The IUPAC name of 2-benzylpyrimidine (CID 13143744) is 2-benzylpyrimidine.
What is the SMILES notation for 2-benzylpyrimidine?
The canonical SMILES for 2-benzylpyrimidine is c1ccc(Cc2ncccn2)cc1.
What is the InChIKey of 2-benzylpyrimidine?
The InChIKey is OOLOAWZLPBDRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-8H,9H2.
What are the key properties of 2-benzylpyrimidine?
2-benzylpyrimidine has a molecular weight of 170.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpyrimidine is sourced from PubChem (CID 13143744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).