2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one

C17H30N2O — CID 20872018

IUPAC2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one
SMILESCCCCc1nc(C(C)(C)C)c(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C17H30N2O/c1-9-10-11-12-18-14(17(5,6)7)13(16(2,3)4)15(20)19(12)8/h9-11H2,1-8H3
InChIKeyARGSCEYXJPUCDA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.72
Rot. Bonds3

About 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one

2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one (PubChem CID 20872018) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one
PubChem CID20872018
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one
SMILESCCCCc1nc(C(C)(C)C)c(C(C)(C)C)c(=O)n1C
InChIInChI=1S/C17H30N2O/c1-9-10-11-12-18-14(17(5,6)7)13(16(2,3)4)15(20)19(12)8/h9-11H2,1-8H3
InChIKeyARGSCEYXJPUCDA-UHFFFAOYSA-N
XLogP3.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one?
The IUPAC name of 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one (CID 20872018) is 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one?
The canonical SMILES for 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one is CCCCc1nc(C(C)(C)C)c(C(C)(C)C)c(=O)n1C.
What is the InChIKey of 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one?
The InChIKey is ARGSCEYXJPUCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-9-10-11-12-18-14(17(5,6)7)13(16(2,3)4)15(20)19(12)8/h9-11H2,1-8H3.
What are the key properties of 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one?
2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one has a molecular weight of 278.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-ditert-butyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 20872018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).