4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde

C14H14N2O2 — CID 116900259

IUPAC4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
SMILESCOc1cc(C)cc(C)c1-c1ccnc(C=O)n1
InChIInChI=1S/C14H14N2O2/c1-9-6-10(2)14(12(7-9)18-3)11-4-5-15-13(8-17)16-11/h4-8H,1-3H3
InChIKeyHXTHXOMITKFYRA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde

4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde (PubChem CID 116900259) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
PubChem CID116900259
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
SMILESCOc1cc(C)cc(C)c1-c1ccnc(C=O)n1
InChIInChI=1S/C14H14N2O2/c1-9-6-10(2)14(12(7-9)18-3)11-4-5-15-13(8-17)16-11/h4-8H,1-3H3
InChIKeyHXTHXOMITKFYRA-UHFFFAOYSA-N
XLogP2.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.58
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

2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
4-(2-methoxy-4,6-dimethylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867294
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
6-(2-methoxy-4,6-dimethylphenyl)imidazo[1,2-b]pyridazine
CID 116854288
4-chloro-6-(2-methoxy-4,6-dimethylphenyl)pyrimidine-5-carbaldehyde
CID 106681400
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832537
2,4-dichloro-7-(2-methoxy-4,6-dimethylphenyl)pyrido[2,3-d]pyrimidine
CID 171085729

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde?
The IUPAC name of 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde (CID 116900259) is 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde is COc1cc(C)cc(C)c1-c1ccnc(C=O)n1.
What is the InChIKey of 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde?
The InChIKey is HXTHXOMITKFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-10(2)14(12(7-9)18-3)11-4-5-15-13(8-17)16-11/h4-8H,1-3H3.
What are the key properties of 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde?
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde is sourced from PubChem (CID 116900259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).