2,4-ditert-butyl-5-ethyl-6-propylpyrimidine

C17H30N2 — CID 170117364

IUPAC2,4-ditert-butyl-5-ethyl-6-propylpyrimidine
SMILESCCCc1nc(C(C)(C)C)nc(C(C)(C)C)c1CC
InChIInChI=1S/C17H30N2/c1-9-11-13-12(10-2)14(16(3,4)5)19-15(18-13)17(6,7)8/h9-11H2,1-8H3
InChIKeyJLERJASHEQAGJM-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.59
Rot. Bonds3

About 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine

2,4-ditert-butyl-5-ethyl-6-propylpyrimidine (PubChem CID 170117364) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine.

Molecular Properties

Compound Name2,4-ditert-butyl-5-ethyl-6-propylpyrimidine
PubChem CID170117364
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,4-ditert-butyl-5-ethyl-6-propylpyrimidine
SMILESCCCc1nc(C(C)(C)C)nc(C(C)(C)C)c1CC
InChIInChI=1S/C17H30N2/c1-9-11-13-12(10-2)14(16(3,4)5)19-15(18-13)17(6,7)8/h9-11H2,1-8H3
InChIKeyJLERJASHEQAGJM-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.59
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-5-ethyl-6-propylpyrimidine?
The IUPAC name of 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine (CID 170117364) is 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine.
What is the SMILES notation for 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine?
The canonical SMILES for 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine is CCCc1nc(C(C)(C)C)nc(C(C)(C)C)c1CC.
What is the InChIKey of 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine?
The InChIKey is JLERJASHEQAGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-9-11-13-12(10-2)14(16(3,4)5)19-15(18-13)17(6,7)8/h9-11H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine?
2,4-ditert-butyl-5-ethyl-6-propylpyrimidine has a molecular weight of 262.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-5-ethyl-6-propylpyrimidine is sourced from PubChem (CID 170117364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).