5,6-ditert-butyl-3-propylpyrimidin-4-one

C15H26N2O — CID 23552405

IUPAC5,6-ditert-butyl-3-propylpyrimidin-4-one
SMILESCCCn1cnc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N2O/c1-8-9-17-10-16-12(15(5,6)7)11(13(17)18)14(2,3)4/h10H,8-9H2,1-7H3
InChIKeyOPCDREFORSTATE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.25
Rot. Bonds2

About 5,6-ditert-butyl-3-propylpyrimidin-4-one

5,6-ditert-butyl-3-propylpyrimidin-4-one (PubChem CID 23552405) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-ditert-butyl-3-propylpyrimidin-4-one
PubChem CID23552405
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5,6-ditert-butyl-3-propylpyrimidin-4-one
SMILESCCCn1cnc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H26N2O/c1-8-9-17-10-16-12(15(5,6)7)11(13(17)18)14(2,3)4/h10H,8-9H2,1-7H3
InChIKeyOPCDREFORSTATE-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3-propylpyrimidin-4-one?
The IUPAC name of 5,6-ditert-butyl-3-propylpyrimidin-4-one (CID 23552405) is 5,6-ditert-butyl-3-propylpyrimidin-4-one.
What is the SMILES notation for 5,6-ditert-butyl-3-propylpyrimidin-4-one?
The canonical SMILES for 5,6-ditert-butyl-3-propylpyrimidin-4-one is CCCn1cnc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 5,6-ditert-butyl-3-propylpyrimidin-4-one?
The InChIKey is OPCDREFORSTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-8-9-17-10-16-12(15(5,6)7)11(13(17)18)14(2,3)4/h10H,8-9H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-3-propylpyrimidin-4-one?
5,6-ditert-butyl-3-propylpyrimidin-4-one has a molecular weight of 250.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-propylpyrimidin-4-one is sourced from PubChem (CID 23552405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).