3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde

C14H14N2O5 — CID 3762410

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
SMILESCOc1cc(OC)nc(Oc2cc(C=O)ccc2OC)n1
InChIInChI=1S/C14H14N2O5/c1-18-10-5-4-9(8-17)6-11(10)21-14-15-12(19-2)7-13(16-14)20-3/h4-8H,1-3H3
InChIKeyHHVYGZSQIKEKAV-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.11
Rot. Bonds6

About 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde

3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde (PubChem CID 3762410) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
PubChem CID3762410
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
SMILESCOc1cc(OC)nc(Oc2cc(C=O)ccc2OC)n1
InChIInChI=1S/C14H14N2O5/c1-18-10-5-4-9(8-17)6-11(10)21-14-15-12(19-2)7-13(16-14)20-3/h4-8H,1-3H3
InChIKeyHHVYGZSQIKEKAV-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 3-(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

Benzaldehyde, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-
CID 820623
[2-[(4,6-Dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2570985
3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-4-methoxybenzenecarbaldehyde O-methyloxime
CID 9659170
3-[(2-Chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxybenzaldehyde
CID 1714536
1-[3-Methoxy-4-(2-pyrimidinyloxy)phenyl]-1-ethanone
CID 2608255
3-[(4,6-Dimethoxypyrimidin-2-yl)oxy]benzoic acid
CID 2736219
Ethyl 4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzenecarboxylate
CID 3494146
3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-4-methoxybenzenecarbaldehyde O-ethyloxime
CID 9624769
3-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]-4-methoxybenzenecarbaldehyde oxime
CID 9633669
Benzoic acid, 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, methyl ester
CID 1214860
3-[(4,6-Dimethoxypyrimidin-2-YL)oxy]benzoic acid, methyl ester
CID 4157470
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic Acid
CID 4615865

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde (CID 3762410) is 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde is COc1cc(OC)nc(Oc2cc(C=O)ccc2OC)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
The InChIKey is HHVYGZSQIKEKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-18-10-5-4-9(8-17)6-11(10)21-14-15-12(19-2)7-13(16-14)20-3/h4-8H,1-3H3.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde?
3-(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 3-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde is sourced from PubChem (CID 3762410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).