2-chloro-5-(2-methoxyethoxy)pyrimidine

C7H9ClN2O2 — CID 71394878

IUPAC2-chloro-5-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2O2/c1-11-2-3-12-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyYCNYOQHFLUPLKW-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.16
Rot. Bonds4

About 2-chloro-5-(2-methoxyethoxy)pyrimidine

2-chloro-5-(2-methoxyethoxy)pyrimidine (PubChem CID 71394878) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxyethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-methoxyethoxy)pyrimidine
PubChem CID71394878
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-chloro-5-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2O2/c1-11-2-3-12-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyYCNYOQHFLUPLKW-UHFFFAOYSA-N
XLogP1.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxyethoxy)pyrimidine?
The IUPAC name of 2-chloro-5-(2-methoxyethoxy)pyrimidine (CID 71394878) is 2-chloro-5-(2-methoxyethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(2-methoxyethoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(2-methoxyethoxy)pyrimidine is COCCOc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(2-methoxyethoxy)pyrimidine?
The InChIKey is YCNYOQHFLUPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-11-2-3-12-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-5-(2-methoxyethoxy)pyrimidine?
2-chloro-5-(2-methoxyethoxy)pyrimidine has a molecular weight of 188.61 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxyethoxy)pyrimidine is sourced from PubChem (CID 71394878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).