2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one

C10H16N2O — CID 59463795

IUPAC2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(C)n(C(C)C)c(=O)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)12-9(5)11-8(4)7(3)10(12)13/h6H,1-5H3
InChIKeyFEHBXYJVIGWRIQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.75
Rot. Bonds1

About 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one

2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 59463795) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one
PubChem CID59463795
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(C)n(C(C)C)c(=O)c1C
InChIInChI=1S/C10H16N2O/c1-6(2)12-9(5)11-8(4)7(3)10(12)13/h6H,1-5H3
InChIKeyFEHBXYJVIGWRIQ-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one (CID 59463795) is 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one is Cc1nc(C)n(C(C)C)c(=O)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is FEHBXYJVIGWRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)12-9(5)11-8(4)7(3)10(12)13/h6H,1-5H3.
What are the key properties of 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one?
2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 59463795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).