5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine

C19H18N2O — CID 2223258

IUPAC5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
SMILESCOc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-17(13-15-9-5-3-6-10-15)19(22-2)21-18(20-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeySDFKDADWZYRLAR-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.05
Rot. Bonds4

About 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine

5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine (PubChem CID 2223258) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine.

Molecular Properties

Compound Name5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
PubChem CID2223258
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
SMILESCOc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-17(13-15-9-5-3-6-10-15)19(22-2)21-18(20-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeySDFKDADWZYRLAR-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine?
The IUPAC name of 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine (CID 2223258) is 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine.
What is the SMILES notation for 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine?
The canonical SMILES for 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine is COc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine?
The InChIKey is SDFKDADWZYRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-17(13-15-9-5-3-6-10-15)19(22-2)21-18(20-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine?
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine has a molecular weight of 290.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine is sourced from PubChem (CID 2223258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).