4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine

C14H16N2O — CID 116896809

IUPAC4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine
SMILESCOc1nc(C)cc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C14H16N2O/c1-9-5-6-12(10(2)7-9)13-8-11(3)15-14(16-13)17-4/h5-8H,1-4H3
InChIKeyGCJGNKXFENKJGP-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.08
Rot. Bonds2

About 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine

4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine (PubChem CID 116896809) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine
PubChem CID116896809
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine
SMILESCOc1nc(C)cc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C14H16N2O/c1-9-5-6-12(10(2)7-9)13-8-11(3)15-14(16-13)17-4/h5-8H,1-4H3
InChIKeyGCJGNKXFENKJGP-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine?
The IUPAC name of 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine (CID 116896809) is 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine is COc1nc(C)cc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine?
The InChIKey is GCJGNKXFENKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-6-12(10(2)7-9)13-8-11(3)15-14(16-13)17-4/h5-8H,1-4H3.
What are the key properties of 4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine?
4-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine 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-(2,4-dimethylphenyl)-2-methoxy-6-methylpyrimidine is sourced from PubChem (CID 116896809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).