2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine

C13H22N2 — CID 135291647

IUPAC2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine
SMILESCC(C)[C@@H](C)c1nccnc1C(C)(C)C
InChIInChI=1S/C13H22N2/c1-9(2)10(3)11-12(13(4,5)6)15-8-7-14-11/h7-10H,1-6H3/t10-/m1/s1
InChIKeyWWJMHCPVHYLWPW-SNVBAGLBSA-N
MW206.33 g/mol
LogP3.53
Rot. Bonds2

About 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine

2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine (PubChem CID 135291647) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine.

Molecular Properties

Compound Name2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine
PubChem CID135291647
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine
SMILESCC(C)[C@@H](C)c1nccnc1C(C)(C)C
InChIInChI=1S/C13H22N2/c1-9(2)10(3)11-12(13(4,5)6)15-8-7-14-11/h7-10H,1-6H3/t10-/m1/s1
InChIKeyWWJMHCPVHYLWPW-SNVBAGLBSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutan-2-yl)-3-propoxypyrazine
CID 154190324
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4,6-ditert-butyl-5-propan-2-ylpyrimidine
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2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
2-[3-(difluoromethyl)pyrazin-2-yl]butan-2-amine
CID 126982747
3-(3-methylpyrazin-2-yl)butan-2-ol
CID 83064471
2-(3,3-dimethylbutan-2-yl)-3-iodopyridine
CID 176739161
4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 59706661
1-(3-methoxypyrazin-2-yl)-3,4,4-trimethylpentan-1-ol
CID 115831089
1-(2-tert-butyl-3-pyridinyl)ethanol;2-(2-tert-butyl-3-pyridinyl)propan-2-ol
CID 159930912
2-(2-bromo-4-methylpentan-3-yl)-3-methylpyrazine
CID 83065129

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine?
The IUPAC name of 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine (CID 135291647) is 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine.
What is the SMILES notation for 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine?
The canonical SMILES for 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine is CC(C)[C@@H](C)c1nccnc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine?
The InChIKey is WWJMHCPVHYLWPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)10(3)11-12(13(4,5)6)15-8-7-14-11/h7-10H,1-6H3/t10-/m1/s1.
What are the key properties of 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine?
2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine has a molecular weight of 206.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(2R)-3-methylbutan-2-yl]pyrazine is sourced from PubChem (CID 135291647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).