2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine

C24H36N6 — CID 158708538

IUPAC2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
SMILESCC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1
InChIInChI=1S/3C8H12N2/c1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h3*4-6H,1-3H3
InChIKeyIIKSQVZMAOXYFG-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.32
Rot. Bonds

About 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine

2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine (PubChem CID 158708538) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine.

Molecular Properties

Compound Name2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
PubChem CID158708538
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine
SMILESCC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1
InChIInChI=1S/3C8H12N2/c1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h3*4-6H,1-3H3
InChIKeyIIKSQVZMAOXYFG-UHFFFAOYSA-N
XLogP5.32
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
5-tert-butyl-1-methylpyrazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;ethane;methane
CID 158312334
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;methane
CID 162129146
lithium;2-tert-butylpyrimidine;bromide
CID 160712355
bis(tert-butylbenzene);bis(5-tert-butyl-1H-indole);bis(6-tert-butyl-1H-indole);2-tert-butylpyrazine;3-tert-butylpyridazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butyl-1H-pyrrole
CID 157293680
5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine
CID 135257444
2-tert-butylpyrazine;4-tert-butyl-1H-pyrazolo[4,5-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;3-tert-butylpyridazine;2-tert-butylpyrimidine
CID 158087577
2,5-ditert-butylpyrazine;2,5-ditert-butylpyridine;2,6-ditert-butylpyridine;2,4-ditert-butylpyrimidine;2,5-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine
CID 167625438
2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
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2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;cumene;ethane;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 161423252
3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
CID 115401177

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
The IUPAC name of 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine (CID 158708538) is 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine.
What is the SMILES notation for 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
The canonical SMILES for 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine is CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncccn1.
What is the InChIKey of 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
The InChIKey is IIKSQVZMAOXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H12N2/c1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-9-5-4-6-10-7/h3*4-6H,1-3H3.
What are the key properties of 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine?
2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine has a molecular weight of 408.59 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyrazine;2-tert-butylpyrimidine;5-tert-butylpyrimidine is sourced from PubChem (CID 158708538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).