4,6-ditert-butyl-5-propan-2-ylpyrimidine

C15H26N2 — CID 59616923

IUPAC4,6-ditert-butyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-10(2)11-12(14(3,4)5)16-9-17-13(11)15(6,7)8/h9-10H,1-8H3
InChIKeyJQSPFDVYMGMLHV-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.20
Rot. Bonds1

About 4,6-ditert-butyl-5-propan-2-ylpyrimidine

4,6-ditert-butyl-5-propan-2-ylpyrimidine (PubChem CID 59616923) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4,6-ditert-butyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-ditert-butyl-5-propan-2-ylpyrimidine
PubChem CID59616923
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4,6-ditert-butyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-10(2)11-12(14(3,4)5)16-9-17-13(11)15(6,7)8/h9-10H,1-8H3
InChIKeyJQSPFDVYMGMLHV-UHFFFAOYSA-N
XLogP4.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-ditert-butyl-5-propan-2-ylpyrimidine (CID 59616923) is 4,6-ditert-butyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-ditert-butyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-ditert-butyl-5-propan-2-ylpyrimidine is CC(C)c1c(C(C)(C)C)ncnc1C(C)(C)C.
What is the InChIKey of 4,6-ditert-butyl-5-propan-2-ylpyrimidine?
The InChIKey is JQSPFDVYMGMLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-10(2)11-12(14(3,4)5)16-9-17-13(11)15(6,7)8/h9-10H,1-8H3.
What are the key properties of 4,6-ditert-butyl-5-propan-2-ylpyrimidine?
4,6-ditert-butyl-5-propan-2-ylpyrimidine has a molecular weight of 234.39 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 59616923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).