5-(2,2-diethoxyethoxy)pyrimidine

C10H16N2O3 — CID 76850143

IUPAC5-(2,2-diethoxyethoxy)pyrimidine
SMILESCCOC(COc1cncnc1)OCC
InChIInChI=1S/C10H16N2O3/c1-3-13-10(14-4-2)7-15-9-5-11-8-12-6-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyKEUNLYZSCUDVPK-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.25
Rot. Bonds7

About 5-(2,2-diethoxyethoxy)pyrimidine

5-(2,2-diethoxyethoxy)pyrimidine (PubChem CID 76850143) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(2,2-diethoxyethoxy)pyrimidine.

Molecular Properties

Compound Name5-(2,2-diethoxyethoxy)pyrimidine
PubChem CID76850143
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-(2,2-diethoxyethoxy)pyrimidine
SMILESCCOC(COc1cncnc1)OCC
InChIInChI=1S/C10H16N2O3/c1-3-13-10(14-4-2)7-15-9-5-11-8-12-6-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyKEUNLYZSCUDVPK-UHFFFAOYSA-N
XLogP1.25
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diethoxyethoxy)pyrimidine?
The IUPAC name of 5-(2,2-diethoxyethoxy)pyrimidine (CID 76850143) is 5-(2,2-diethoxyethoxy)pyrimidine.
What is the SMILES notation for 5-(2,2-diethoxyethoxy)pyrimidine?
The canonical SMILES for 5-(2,2-diethoxyethoxy)pyrimidine is CCOC(COc1cncnc1)OCC.
What is the InChIKey of 5-(2,2-diethoxyethoxy)pyrimidine?
The InChIKey is KEUNLYZSCUDVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-13-10(14-4-2)7-15-9-5-11-8-12-6-9/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 5-(2,2-diethoxyethoxy)pyrimidine?
5-(2,2-diethoxyethoxy)pyrimidine has a molecular weight of 212.25 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethoxyethoxy)pyrimidine is sourced from PubChem (CID 76850143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).