4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde

C15H16N2O2 — CID 116894400

IUPAC4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde
SMILESCCOc1ccc(-c2cc(C)nc(C=O)n2)cc1C
InChIInChI=1S/C15H16N2O2/c1-4-19-14-6-5-12(7-10(14)2)13-8-11(3)16-15(9-18)17-13/h5-9H,4H2,1-3H3
InChIKeyVVULDCJOOBLUKP-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.97
Rot. Bonds4

About 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde

4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde (PubChem CID 116894400) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde
PubChem CID116894400
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde
SMILESCCOc1ccc(-c2cc(C)nc(C=O)n2)cc1C
InChIInChI=1S/C15H16N2O2/c1-4-19-14-6-5-12(7-10(14)2)13-8-11(3)16-15(9-18)17-13/h5-9H,4H2,1-3H3
InChIKeyVVULDCJOOBLUKP-UHFFFAOYSA-N
XLogP2.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.97
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

1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 116894641
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
4-methyl-6-(2,3,5,6-tetramethylphenyl)pyrimidine-2-carbaldehyde
CID 116894392
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744151
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
1-[6-(4-ethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95465136
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 82295142
2-(3,4-diethoxyphenyl)-8-methylquinoline-4-carboxylic acid
CID 7139654
2-(4-ethoxy-3-methylphenyl)-N-methyl-1,3-thiazol-4-amine
CID 116864423
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde?
The IUPAC name of 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde (CID 116894400) is 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde.
What is the SMILES notation for 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde?
The canonical SMILES for 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde is CCOc1ccc(-c2cc(C)nc(C=O)n2)cc1C.
What is the InChIKey of 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde?
The InChIKey is VVULDCJOOBLUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-19-14-6-5-12(7-10(14)2)13-8-11(3)16-15(9-18)17-13/h5-9H,4H2,1-3H3.
What are the key properties of 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde?
4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde has a molecular weight of 256.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde is sourced from PubChem (CID 116894400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).