2,4,5-triethoxypyrimidine

C10H16N2O3 — CID 18761913

IUPAC2,4,5-triethoxypyrimidine
SMILESCCOc1ncc(OCC)c(OCC)n1
InChIInChI=1S/C10H16N2O3/c1-4-13-8-7-11-10(15-6-3)12-9(8)14-5-2/h7H,4-6H2,1-3H3
InChIKeyIVCRFRYRQJRGKE-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.67
Rot. Bonds6

About 2,4,5-triethoxypyrimidine

2,4,5-triethoxypyrimidine (PubChem CID 18761913) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,4,5-triethoxypyrimidine.

Molecular Properties

Compound Name2,4,5-triethoxypyrimidine
PubChem CID18761913
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2,4,5-triethoxypyrimidine
SMILESCCOc1ncc(OCC)c(OCC)n1
InChIInChI=1S/C10H16N2O3/c1-4-13-8-7-11-10(15-6-3)12-9(8)14-5-2/h7H,4-6H2,1-3H3
InChIKeyIVCRFRYRQJRGKE-UHFFFAOYSA-N
XLogP1.67
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-triethoxypyrimidine?
The IUPAC name of 2,4,5-triethoxypyrimidine (CID 18761913) is 2,4,5-triethoxypyrimidine.
What is the SMILES notation for 2,4,5-triethoxypyrimidine?
The canonical SMILES for 2,4,5-triethoxypyrimidine is CCOc1ncc(OCC)c(OCC)n1.
What is the InChIKey of 2,4,5-triethoxypyrimidine?
The InChIKey is IVCRFRYRQJRGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-13-8-7-11-10(15-6-3)12-9(8)14-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2,4,5-triethoxypyrimidine?
2,4,5-triethoxypyrimidine has a molecular weight of 212.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triethoxypyrimidine is sourced from PubChem (CID 18761913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).