2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde

C13H12N2O3 — CID 53214707

IUPAC2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde
SMILESCOc1ccccc1OCc1ncc(C=O)cn1
InChIInChI=1S/C13H12N2O3/c1-17-11-4-2-3-5-12(11)18-9-13-14-6-10(8-16)7-15-13/h2-8H,9H2,1H3
InChIKeyZCFFZXQACBFUCI-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.88
Rot. Bonds5

About 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde

2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde (PubChem CID 53214707) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde
PubChem CID53214707
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde
SMILESCOc1ccccc1OCc1ncc(C=O)cn1
InChIInChI=1S/C13H12N2O3/c1-17-11-4-2-3-5-12(11)18-9-13-14-6-10(8-16)7-15-13/h2-8H,9H2,1H3
InChIKeyZCFFZXQACBFUCI-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde (CID 53214707) is 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde is COc1ccccc1OCc1ncc(C=O)cn1.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde?
The InChIKey is ZCFFZXQACBFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-17-11-4-2-3-5-12(11)18-9-13-14-6-10(8-16)7-15-13/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde?
2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde 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 2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 53214707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).