2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde

C14H14N2O5 — CID 139643232

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Oc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C14H14N2O5/c1-18-10-5-4-9(8-17)11(6-10)21-14-15-12(19-2)7-13(16-14)20-3/h4-8H,1-3H3
InChIKeyQORNBQJDZPJWMU-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.11
Rot. Bonds6

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde

2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde (PubChem CID 139643232) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
PubChem CID139643232
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Oc2nc(OC)cc(OC)n2)c1
InChIInChI=1S/C14H14N2O5/c1-18-10-5-4-9(8-17)11(6-10)21-14-15-12(19-2)7-13(16-14)20-3/h4-8H,1-3H3
InChIKeyQORNBQJDZPJWMU-UHFFFAOYSA-N
XLogP2.11
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
4-methoxy-2-(triaminomethoxy)benzaldehyde
CID 89196601
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
4-methoxy-2-(2-methylbut-3-en-2-yloxy)benzaldehyde
CID 134843951
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
CID 143730152
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde (CID 139643232) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde is COc1ccc(C=O)c(Oc2nc(OC)cc(OC)n2)c1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
The InChIKey is QORNBQJDZPJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-18-10-5-4-9(8-17)11(6-10)21-14-15-12(19-2)7-13(16-14)20-3/h4-8H,1-3H3.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde has a molecular weight of 290.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde is sourced from PubChem (CID 139643232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).