2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine

C9H13ClN2O3 — CID 104561376

IUPAC2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
SMILESCOCCOCCOc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN2O3/c1-13-4-5-14-6-7-15-8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3
InChIKeyGRTFAFKVUZMCEA-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.17
Rot. Bonds7

About 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine

2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine (PubChem CID 104561376) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
PubChem CID104561376
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine
SMILESCOCCOCCOc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN2O3/c1-13-4-5-14-6-7-15-8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3
InChIKeyGRTFAFKVUZMCEA-UHFFFAOYSA-N
XLogP1.17
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-amine
CID 104568278
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
2-chloro-6-[2-(2-methoxyethoxy)ethoxy]pyridine
CID 104561399
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpyridin-3-amine
CID 104559873
4-(2-methoxyethoxy)pyrimidine-2-carboxylic acid
CID 124926290
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
(2-chloropyrimidin-4-yl)oxymethanol
CID 59444619
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961
2-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-3-amine
CID 104559880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
The IUPAC name of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine (CID 104561376) is 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine is COCCOCCOc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
The InChIKey is GRTFAFKVUZMCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3/c1-13-4-5-14-6-7-15-8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3.
What are the key properties of 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine?
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine has a molecular weight of 232.67 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-methoxyethoxy)ethoxy]pyrimidine is sourced from PubChem (CID 104561376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).