6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde

C13H12N2O2 — CID 116857701

IUPAC6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
SMILESCOc1ccc(C)cc1-c1cc(C=O)ncn1
InChIInChI=1S/C13H12N2O2/c1-9-3-4-13(17-2)11(5-9)12-6-10(7-16)14-8-15-12/h3-8H,1-2H3
InChIKeyMLKJFCGPTKPFDC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.27
Rot. Bonds3

About 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde

6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde (PubChem CID 116857701) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
PubChem CID116857701
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
SMILESCOc1ccc(C)cc1-c1cc(C=O)ncn1
InChIInChI=1S/C13H12N2O2/c1-9-3-4-13(17-2)11(5-9)12-6-10(7-16)14-8-15-12/h3-8H,1-2H3
InChIKeyMLKJFCGPTKPFDC-UHFFFAOYSA-N
XLogP2.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
CID 116857718
2-ethyl-6-(2-methoxy-5-methylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82445242
N-[6-(2-methoxy-5-methylphenyl)pyrimidin-4-yl]-2-phenylpropanamide
CID 163623994
4-(2-methoxy-5-methylphenyl)-2,6-dimethylpyrimidine
CID 116896903
6-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 56701713
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
6-(2-methoxy-5-methylphenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
CID 82446916
4-(2-methoxy-5-methylphenyl)-1-methylimidazole-2-carboxylic acid
CID 82086061
3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
CID 106517368

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde (CID 116857701) is 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde is COc1ccc(C)cc1-c1cc(C=O)ncn1.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde?
The InChIKey is MLKJFCGPTKPFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-3-4-13(17-2)11(5-9)12-6-10(7-16)14-8-15-12/h3-8H,1-2H3.
What are the key properties of 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde?
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 116857701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).