4,5,6-triethoxypyrimidine

C10H16N2O3 — CID 18761898

IUPAC4,5,6-triethoxypyrimidine
SMILESCCOc1ncnc(OCC)c1OCC
InChIInChI=1S/C10H16N2O3/c1-4-13-8-9(14-5-2)11-7-12-10(8)15-6-3/h7H,4-6H2,1-3H3
InChIKeyRBHLJEJYIGDEGT-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.67
Rot. Bonds6

About 4,5,6-triethoxypyrimidine

4,5,6-triethoxypyrimidine (PubChem CID 18761898) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4,5,6-triethoxypyrimidine.

Molecular Properties

Compound Name4,5,6-triethoxypyrimidine
PubChem CID18761898
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4,5,6-triethoxypyrimidine
SMILESCCOc1ncnc(OCC)c1OCC
InChIInChI=1S/C10H16N2O3/c1-4-13-8-9(14-5-2)11-7-12-10(8)15-6-3/h7H,4-6H2,1-3H3
InChIKeyRBHLJEJYIGDEGT-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 4,5,6-triethoxypyrimidine?
The IUPAC name of 4,5,6-triethoxypyrimidine (CID 18761898) is 4,5,6-triethoxypyrimidine.
What is the SMILES notation for 4,5,6-triethoxypyrimidine?
The canonical SMILES for 4,5,6-triethoxypyrimidine is CCOc1ncnc(OCC)c1OCC.
What is the InChIKey of 4,5,6-triethoxypyrimidine?
The InChIKey is RBHLJEJYIGDEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-13-8-9(14-5-2)11-7-12-10(8)15-6-3/h7H,4-6H2,1-3H3.
What are the key properties of 4,5,6-triethoxypyrimidine?
4,5,6-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 4,5,6-triethoxypyrimidine is sourced from PubChem (CID 18761898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).