2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine

C15H18N2O — CID 10331991

IUPAC2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
SMILESCCOC(c1ccccc1)c1nc(C)cc(C)n1
InChIInChI=1S/C15H18N2O/c1-4-18-14(13-8-6-5-7-9-13)15-16-11(2)10-12(3)17-15/h5-10,14H,4H2,1-3H3
InChIKeyZHTXMLTUHGKQJB-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.22
Rot. Bonds4

About 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine

2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine (PubChem CID 10331991) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
PubChem CID10331991
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
SMILESCCOC(c1ccccc1)c1nc(C)cc(C)n1
InChIInChI=1S/C15H18N2O/c1-4-18-14(13-8-6-5-7-9-13)15-16-11(2)10-12(3)17-15/h5-10,14H,4H2,1-3H3
InChIKeyZHTXMLTUHGKQJB-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine (CID 10331991) is 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine is CCOC(c1ccccc1)c1nc(C)cc(C)n1.
What is the InChIKey of 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine?
The InChIKey is ZHTXMLTUHGKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-18-14(13-8-6-5-7-9-13)15-16-11(2)10-12(3)17-15/h5-10,14H,4H2,1-3H3.
What are the key properties of 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine?
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine has a molecular weight of 242.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 10331991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).