2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde

C11H16N2O4 — CID 103178190

IUPAC2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
SMILESCOCCCOCCOc1ncc(C=O)cn1
InChIInChI=1S/C11H16N2O4/c1-15-3-2-4-16-5-6-17-11-12-7-10(9-14)8-13-11/h7-9H,2-6H2,1H3
InChIKeyOTWOMEJZXYBJJG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.72
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde

2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde (PubChem CID 103178190) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
PubChem CID103178190
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
SMILESCOCCCOCCOc1ncc(C=O)cn1
InChIInChI=1S/C11H16N2O4/c1-15-3-2-4-16-5-6-17-11-12-7-10(9-14)8-13-11/h7-9H,2-6H2,1H3
InChIKeyOTWOMEJZXYBJJG-UHFFFAOYSA-N
XLogP0.72
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884
3,5-dibromo-4-[3-(2-methoxyethoxy)propoxy]benzaldehyde
CID 107738282
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
4-chloro-2-[2-(3-methoxypropoxy)ethoxy]-1,3-thiazole-5-carbaldehyde
CID 103178170
3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103179380
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
2-(2-methoxyethoxy)pyrimidine-5-carboxylic acid
CID 66570813

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde (CID 103178190) is 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde is COCCCOCCOc1ncc(C=O)cn1.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde?
The InChIKey is OTWOMEJZXYBJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-3-2-4-16-5-6-17-11-12-7-10(9-14)8-13-11/h7-9H,2-6H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde?
2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 0.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 103178190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).