4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine

C14H16N2O — CID 116896903

IUPAC4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
SMILESCOc1ccc(C)cc1-c1cc(C)nc(C)n1
InChIInChI=1S/C14H16N2O/c1-9-5-6-14(17-4)12(7-9)13-8-10(2)15-11(3)16-13/h5-8H,1-4H3
InChIKeyCUEZFDWEPZEKCV-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.08
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine

4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine (PubChem CID 116896903) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
PubChem CID116896903
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
SMILESCOc1ccc(C)cc1-c1cc(C)nc(C)n1
InChIInChI=1S/C14H16N2O/c1-9-5-6-14(17-4)12(7-9)13-8-10(2)15-11(3)16-13/h5-8H,1-4H3
InChIKeyCUEZFDWEPZEKCV-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
3-[4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-yl]propanenitrile
CID 116895108
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
CID 86633494
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
6-(2-methoxy-5-methylphenyl)-2-methylpyridine-3-carbonitrile
CID 82453336
6-(2-methoxy-5-methylphenyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769427
4-N-(2-aminoethyl)-6-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 143609875
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine (CID 116896903) is 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine is COc1ccc(C)cc1-c1cc(C)nc(C)n1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine?
The InChIKey is CUEZFDWEPZEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-6-14(17-4)12(7-9)13-8-10(2)15-11(3)16-13/h5-8H,1-4H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine?
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine has a molecular weight of 228.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 116896903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).