6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde

C13H12N2O2 — CID 83823686

IUPAC6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
SMILESCOc1ccccc1-c1cc(C=O)nc(C)n1
InChIInChI=1S/C13H12N2O2/c1-9-14-10(8-16)7-12(15-9)11-5-3-4-6-13(11)17-2/h3-8H,1-2H3
InChIKeyYGDKROOWYNNENT-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.27
Rot. Bonds3

About 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde

6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde (PubChem CID 83823686) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
PubChem CID83823686
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
SMILESCOc1ccccc1-c1cc(C=O)nc(C)n1
InChIInChI=1S/C13H12N2O2/c1-9-14-10(8-16)7-12(15-9)11-5-3-4-6-13(11)17-2/h3-8H,1-2H3
InChIKeyYGDKROOWYNNENT-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-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 67546414
4-N-[6-(2-methoxyphenyl)-2-methylpyrimidin-4-yl]benzene-1,4-diamine
CID 68917912
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
2-ethyl-6-(2-methoxyphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82444965
5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole
CID 58282953
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidine
CID 82812450
4,8-dimethoxyquinoline-2-carbaldehyde
CID 23125776
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
6-(2-fluoro-3-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 82811355
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857701
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde (CID 83823686) is 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde is COc1ccccc1-c1cc(C=O)nc(C)n1.
What is the InChIKey of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde?
The InChIKey is YGDKROOWYNNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-14-10(8-16)7-12(15-9)11-5-3-4-6-13(11)17-2/h3-8H,1-2H3.
What are the key properties of 6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde?
6-(2-methoxyphenyl)-2-methylpyrimidine-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-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 83823686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).