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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Related Compounds

2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116775770
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
N-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidin-4-amine
CID 116775791
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
4-(chloromethyl)-2-[ethoxy(phenyl)methyl]pyrimidine
CID 116779042
CID 56851104
CID 56851104
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine
CID 150367286

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).