2,3,5-triethylpyrimidin-4-one

C10H16N2O — CID 174331338

IUPAC2,3,5-triethylpyrimidin-4-one
SMILESCCc1cnc(CC)n(CC)c1=O
InChIInChI=1S/C10H16N2O/c1-4-8-7-11-9(5-2)12(6-3)10(8)13/h7H,4-6H2,1-3H3
InChIKeyTYDORYHOPDBXJY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.39
Rot. Bonds3

About 2,3,5-triethylpyrimidin-4-one

2,3,5-triethylpyrimidin-4-one (PubChem CID 174331338) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,3,5-triethylpyrimidin-4-one.

Molecular Properties

Compound Name2,3,5-triethylpyrimidin-4-one
PubChem CID174331338
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,3,5-triethylpyrimidin-4-one
SMILESCCc1cnc(CC)n(CC)c1=O
InChIInChI=1S/C10H16N2O/c1-4-8-7-11-9(5-2)12(6-3)10(8)13/h7H,4-6H2,1-3H3
InChIKeyTYDORYHOPDBXJY-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triethylpyrimidin-4-one?
The IUPAC name of 2,3,5-triethylpyrimidin-4-one (CID 174331338) is 2,3,5-triethylpyrimidin-4-one.
What is the SMILES notation for 2,3,5-triethylpyrimidin-4-one?
The canonical SMILES for 2,3,5-triethylpyrimidin-4-one is CCc1cnc(CC)n(CC)c1=O.
What is the InChIKey of 2,3,5-triethylpyrimidin-4-one?
The InChIKey is TYDORYHOPDBXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-8-7-11-9(5-2)12(6-3)10(8)13/h7H,4-6H2,1-3H3.
What are the key properties of 2,3,5-triethylpyrimidin-4-one?
2,3,5-triethylpyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triethylpyrimidin-4-one is sourced from PubChem (CID 174331338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).