3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde

C13H12N2O — CID 105465951

IUPAC3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde
SMILESCc1cc(-c2cccc(C=O)c2)nc(C)n1
InChIInChI=1S/C13H12N2O/c1-9-6-13(15-10(2)14-9)12-5-3-4-11(7-12)8-16/h3-8H,1-2H3
InChIKeyAKGYNNYYCASDJV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.57
Rot. Bonds2

About 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde

3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde (PubChem CID 105465951) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde
PubChem CID105465951
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde
SMILESCc1cc(-c2cccc(C=O)c2)nc(C)n1
InChIInChI=1S/C13H12N2O/c1-9-6-13(15-10(2)14-9)12-5-3-4-11(7-12)8-16/h3-8H,1-2H3
InChIKeyAKGYNNYYCASDJV-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 122476263
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
3-(1-methylpyrazol-3-yl)benzaldehyde
CID 10511755
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CID 7060547
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine
CID 118345131
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105453451
3-pyrimidin-2-ylbenzaldehyde
CID 22630818
4-(2-methoxy-6-methylpyrimidin-4-yl)benzaldehyde
CID 105485419
3-(2,3,4,5-tetramethylphenyl)benzaldehyde
CID 87595803
3-(4-amino-2,6-dimethylphenyl)benzaldehyde
CID 143071394
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde (CID 105465951) is 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde is Cc1cc(-c2cccc(C=O)c2)nc(C)n1.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde?
The InChIKey is AKGYNNYYCASDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-6-13(15-10(2)14-9)12-5-3-4-11(7-12)8-16/h3-8H,1-2H3.
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde?
3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde is sourced from PubChem (CID 105465951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).