2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde

C10H14N2O3 — CID 102929062

IUPAC2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde
SMILESCOCCOCCc1nccc(C=O)n1
InChIInChI=1S/C10H14N2O3/c1-14-6-7-15-5-3-10-11-4-2-9(8-13)12-10/h2,4,8H,3,5-7H2,1H3
InChIKeyKBQMGWVTFYWDCV-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.49
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde

2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde (PubChem CID 102929062) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde
PubChem CID102929062
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde
SMILESCOCCOCCc1nccc(C=O)n1
InChIInChI=1S/C10H14N2O3/c1-14-6-7-15-5-3-10-11-4-2-9(8-13)12-10/h2,4,8H,3,5-7H2,1H3
InChIKeyKBQMGWVTFYWDCV-UHFFFAOYSA-N
XLogP0.49
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde (CID 102929062) is 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde is COCCOCCc1nccc(C=O)n1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde?
The InChIKey is KBQMGWVTFYWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-6-7-15-5-3-10-11-4-2-9(8-13)12-10/h2,4,8H,3,5-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde?
2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 102929062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).