2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine

C16H20N2O — CID 162636219

IUPAC2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine
SMILESCOC(C)c1ccc(-c2nc(C)c(C)c(C)n2)cc1
InChIInChI=1S/C16H20N2O/c1-10-11(2)17-16(18-12(10)3)15-8-6-14(7-9-15)13(4)19-5/h6-9,13H,1-5H3
InChIKeyZADIUQNOSDTRLM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.78
Rot. Bonds3

About 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine

2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine (PubChem CID 162636219) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine
PubChem CID162636219
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine
SMILESCOC(C)c1ccc(-c2nc(C)c(C)c(C)n2)cc1
InChIInChI=1S/C16H20N2O/c1-10-11(2)17-16(18-12(10)3)15-8-6-14(7-9-15)13(4)19-5/h6-9,13H,1-5H3
InChIKeyZADIUQNOSDTRLM-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
5-methoxy-3-[4-(1-methoxyethyl)phenyl]-1-methyl-1,2,4-triazole
CID 119073481
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
[3-[4-(1-methoxyethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117338078
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine
CID 119066119
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
5-[4-[(1S)-1-methoxyethyl]phenyl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 125444011
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
CID 124500314
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
[5,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]hydrazine
CID 62252624

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine?
The IUPAC name of 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine (CID 162636219) is 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine.
What is the SMILES notation for 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine?
The canonical SMILES for 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine is COC(C)c1ccc(-c2nc(C)c(C)c(C)n2)cc1.
What is the InChIKey of 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine?
The InChIKey is ZADIUQNOSDTRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-11(2)17-16(18-12(10)3)15-8-6-14(7-9-15)13(4)19-5/h6-9,13H,1-5H3.
What are the key properties of 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine?
2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine has a molecular weight of 256.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine is sourced from PubChem (CID 162636219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).