5-benzyl-4-methylpyrimidine

C12H12N2 — CID 86068067

IUPAC5-benzyl-4-methylpyrimidine
SMILESCc1ncncc1Cc1ccccc1
InChIInChI=1S/C12H12N2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKeyMHCDKYGCKNLARH-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.38
Rot. Bonds2

About 5-benzyl-4-methylpyrimidine

5-benzyl-4-methylpyrimidine (PubChem CID 86068067) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-benzyl-4-methylpyrimidine.

Molecular Properties

Compound Name5-benzyl-4-methylpyrimidine
PubChem CID86068067
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name5-benzyl-4-methylpyrimidine
SMILESCc1ncncc1Cc1ccccc1
InChIInChI=1S/C12H12N2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChIKeyMHCDKYGCKNLARH-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 5-benzyl-4-methylpyrimidine?
The IUPAC name of 5-benzyl-4-methylpyrimidine (CID 86068067) is 5-benzyl-4-methylpyrimidine.
What is the SMILES notation for 5-benzyl-4-methylpyrimidine?
The canonical SMILES for 5-benzyl-4-methylpyrimidine is Cc1ncncc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methylpyrimidine?
The InChIKey is MHCDKYGCKNLARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-10-12(8-13-9-14-10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 5-benzyl-4-methylpyrimidine?
5-benzyl-4-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 5-benzyl-4-methylpyrimidine is sourced from PubChem (CID 86068067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).