2,4-ditert-butyl-6-methylpyrimidine

C13H22N2 — CID 22950955

IUPAC2,4-ditert-butyl-6-methylpyrimidine
SMILESCc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N2/c1-9-8-10(12(2,3)4)15-11(14-9)13(5,6)7/h8H,1-7H3
InChIKeyYQYOTBPVEOBFAG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.38
Rot. Bonds

About 2,4-ditert-butyl-6-methylpyrimidine

2,4-ditert-butyl-6-methylpyrimidine (PubChem CID 22950955) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-methylpyrimidine.

Molecular Properties

Compound Name2,4-ditert-butyl-6-methylpyrimidine
PubChem CID22950955
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,4-ditert-butyl-6-methylpyrimidine
SMILESCc1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N2/c1-9-8-10(12(2,3)4)15-11(14-9)13(5,6)7/h8H,1-7H3
InChIKeyYQYOTBPVEOBFAG-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-methylpyrimidine?
The IUPAC name of 2,4-ditert-butyl-6-methylpyrimidine (CID 22950955) is 2,4-ditert-butyl-6-methylpyrimidine.
What is the SMILES notation for 2,4-ditert-butyl-6-methylpyrimidine?
The canonical SMILES for 2,4-ditert-butyl-6-methylpyrimidine is Cc1cc(C(C)(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2,4-ditert-butyl-6-methylpyrimidine?
The InChIKey is YQYOTBPVEOBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-9-8-10(12(2,3)4)15-11(14-9)13(5,6)7/h8H,1-7H3.
What are the key properties of 2,4-ditert-butyl-6-methylpyrimidine?
2,4-ditert-butyl-6-methylpyrimidine has a molecular weight of 206.33 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-methylpyrimidine is sourced from PubChem (CID 22950955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).