2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine

C12H20N2O — CID 159165036

IUPAC2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine
SMILESCC[C@H](C)Oc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H20N2O/c1-6-9(2)15-11-8-13-10(7-14-11)12(3,4)5/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyIVHFOUNLPUBTOK-VIFPVBQESA-N
MW208.30 g/mol
LogP2.95
Rot. Bonds3

About 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine

2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine (PubChem CID 159165036) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine
PubChem CID159165036
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine
SMILESCC[C@H](C)Oc1cnc(C(C)(C)C)cn1
InChIInChI=1S/C12H20N2O/c1-6-9(2)15-11-8-13-10(7-14-11)12(3,4)5/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyIVHFOUNLPUBTOK-VIFPVBQESA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine
CID 162235081
2-tert-butyl-5-[(3R)-hex-4-yn-3-yl]oxypyrazine
CID 161405508
2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140
2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine
CID 161405503
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
5-tert-butyl-N,N-diethylpyrazin-2-amine
CID 67967134
2-tert-butyl-5-(2,2-dimethylbutyl)pyrazine
CID 142361503
N-(5-tert-butylpyrazin-2-yl)-2-methylpropanamide
CID 135295974
5-(1-ethoxypropan-2-yloxy)pyrazine-2-carbonitrile
CID 103488112
6-butan-2-yloxy-2,3-dimethylpyridine
CID 130224572
(5-octan-2-yloxypyrazin-2-yl)methanol
CID 107373154
N-[(4-butan-2-yloxypyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 114217110

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine?
The IUPAC name of 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine (CID 159165036) is 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine?
The canonical SMILES for 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine is CC[C@H](C)Oc1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine?
The InChIKey is IVHFOUNLPUBTOK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O/c1-6-9(2)15-11-8-13-10(7-14-11)12(3,4)5/h7-9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine?
2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine has a molecular weight of 208.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine is sourced from PubChem (CID 159165036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).