4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde

C16H18N2O — CID 116894392

IUPAC4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde
SMILESCc1cc(-c2c(C)c(C)cc(C)c2C)nc(C=O)n1
InChIInChI=1S/C16H18N2O/c1-9-6-10(2)13(5)16(12(9)4)14-7-11(3)17-15(8-19)18-14/h6-8H,1-5H3
InChIKeyVUELMLOHHKRMKB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.50
Rot. Bonds2

About 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde

4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde (PubChem CID 116894392) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde
PubChem CID116894392
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde
SMILESCc1cc(-c2c(C)c(C)cc(C)c2C)nc(C=O)n1
InChIInChI=1S/C16H18N2O/c1-9-6-10(2)13(5)16(12(9)4)14-7-11(3)17-15(8-19)18-14/h6-8H,1-5H3
InChIKeyVUELMLOHHKRMKB-UHFFFAOYSA-N
XLogP3.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde?
The IUPAC name of 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde (CID 116894392) is 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde is Cc1cc(-c2c(C)c(C)cc(C)c2C)nc(C=O)n1.
What is the InChIKey of 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde?
The InChIKey is VUELMLOHHKRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-9-6-10(2)13(5)16(12(9)4)14-7-11(3)17-15(8-19)18-14/h6-8H,1-5H3.
What are the key properties of 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde?
4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 116894392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).