4-benzyl-5-methylpyrimidine

C12H12N2 — CID 14984868

IUPAC4-benzyl-5-methylpyrimidine
SMILESCc1cncnc1Cc1ccccc1
InChIInChI=1S/C12H12N2/c1-10-8-13-9-14-12(10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKeyILCJUMSOYZGSCS-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.38
Rot. Bonds2

About 4-benzyl-5-methylpyrimidine

4-benzyl-5-methylpyrimidine (PubChem CID 14984868) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-benzyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-benzyl-5-methylpyrimidine
PubChem CID14984868
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name4-benzyl-5-methylpyrimidine
SMILESCc1cncnc1Cc1ccccc1
InChIInChI=1S/C12H12N2/c1-10-8-13-9-14-12(10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKeyILCJUMSOYZGSCS-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methylpyrimidine?
The IUPAC name of 4-benzyl-5-methylpyrimidine (CID 14984868) is 4-benzyl-5-methylpyrimidine.
What is the SMILES notation for 4-benzyl-5-methylpyrimidine?
The canonical SMILES for 4-benzyl-5-methylpyrimidine is Cc1cncnc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-methylpyrimidine?
The InChIKey is ILCJUMSOYZGSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-10-8-13-9-14-12(10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 4-benzyl-5-methylpyrimidine?
4-benzyl-5-methylpyrimidine has a molecular weight of 184.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methylpyrimidine is sourced from PubChem (CID 14984868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).