3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde

C13H12N2O3 — CID 62699930

IUPAC3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCc1ncccn1
InChIInChI=1S/C13H12N2O3/c1-17-11-5-2-4-10(8-16)13(11)18-9-12-14-6-3-7-15-12/h2-8H,9H2,1H3
InChIKeyREMCLVWCZGHSRF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.88
Rot. Bonds5

About 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde

3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde (PubChem CID 62699930) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
PubChem CID62699930
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
SMILESCOc1cccc(C=O)c1OCc1ncccn1
InChIInChI=1S/C13H12N2O3/c1-17-11-5-2-4-10(8-16)13(11)18-9-12-14-6-3-7-15-12/h2-8H,9H2,1H3
InChIKeyREMCLVWCZGHSRF-UHFFFAOYSA-N
XLogP1.88
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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2-[(4-chlorophenyl)methoxy]-3-methoxybenzaldehyde
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2-(2-fluoroethoxy)-3-methoxybenzaldehyde
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3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
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2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methoxybenzaldehyde
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3-methoxy-2-[(5-oxo-4H-1,2,4-thiadiazol-3-yl)methoxy]benzaldehyde
CID 137305428
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)acetate
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2-buta-2,3-dienoxy-3-methoxybenzaldehyde
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3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde (CID 62699930) is 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde is COc1cccc(C=O)c1OCc1ncccn1.
What is the InChIKey of 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde?
The InChIKey is REMCLVWCZGHSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-11-5-2-4-10(8-16)13(11)18-9-12-14-6-3-7-15-12/h2-8H,9H2,1H3.
What are the key properties of 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde?
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde has a molecular weight of 244.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 62699930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).