4-tert-butyl-2,5,6-triethylpyrimidine

C14H24N2 — CID 89436370

IUPAC4-tert-butyl-2,5,6-triethylpyrimidine
SMILESCCc1nc(CC)c(CC)c(C(C)(C)C)n1
InChIInChI=1S/C14H24N2/c1-7-10-11(8-2)15-12(9-3)16-13(10)14(4,5)6/h7-9H2,1-6H3
InChIKeyWEMQCPKVDSZNMP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.46
Rot. Bonds3

About 4-tert-butyl-2,5,6-triethylpyrimidine

4-tert-butyl-2,5,6-triethylpyrimidine (PubChem CID 89436370) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-tert-butyl-2,5,6-triethylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2,5,6-triethylpyrimidine
PubChem CID89436370
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-tert-butyl-2,5,6-triethylpyrimidine
SMILESCCc1nc(CC)c(CC)c(C(C)(C)C)n1
InChIInChI=1S/C14H24N2/c1-7-10-11(8-2)15-12(9-3)16-13(10)14(4,5)6/h7-9H2,1-6H3
InChIKeyWEMQCPKVDSZNMP-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,5,6-triethylpyrimidine?
The IUPAC name of 4-tert-butyl-2,5,6-triethylpyrimidine (CID 89436370) is 4-tert-butyl-2,5,6-triethylpyrimidine.
What is the SMILES notation for 4-tert-butyl-2,5,6-triethylpyrimidine?
The canonical SMILES for 4-tert-butyl-2,5,6-triethylpyrimidine is CCc1nc(CC)c(CC)c(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-2,5,6-triethylpyrimidine?
The InChIKey is WEMQCPKVDSZNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-7-10-11(8-2)15-12(9-3)16-13(10)14(4,5)6/h7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-2,5,6-triethylpyrimidine?
4-tert-butyl-2,5,6-triethylpyrimidine has a molecular weight of 220.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,5,6-triethylpyrimidine is sourced from PubChem (CID 89436370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).