[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine

C17H23N3 — CID 82488017

IUPAC[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1nccnc1CN
InChIInChI=1S/C17H23N3/c1-11-8-13(17(3,4)5)9-12(2)15(11)16-14(10-18)19-6-7-20-16/h6-9H,10,18H2,1-5H3
InChIKeyKWLMHXDVRUMGBN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds2

About [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine

[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine (PubChem CID 82488017) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine
PubChem CID82488017
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1nccnc1CN
InChIInChI=1S/C17H23N3/c1-11-8-13(17(3,4)5)9-12(2)15(11)16-14(10-18)19-6-7-20-16/h6-9H,10,18H2,1-5H3
InChIKeyKWLMHXDVRUMGBN-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxy-2,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478065
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine
CID 62685534
[3-(2-tert-butyl-4-methylphenoxy)pyrazin-2-yl]methanamine
CID 62674098
[3-(4-propylphenyl)pyrazin-2-yl]methanamine
CID 82473726
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
3-(aminomethyl)-N-methylpyrazin-2-amine
CID 15937929
2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
CID 116855593
2,3-bis(4-tert-butyl-2,6-dimethylphenyl)cycloprop-2-en-1-one
CID 164518953

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine (CID 82488017) is [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine is Cc1cc(C(C)(C)C)cc(C)c1-c1nccnc1CN.
What is the InChIKey of [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine?
The InChIKey is KWLMHXDVRUMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-8-13(17(3,4)5)9-12(2)15(11)16-14(10-18)19-6-7-20-16/h6-9H,10,18H2,1-5H3.
What are the key properties of [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine?
[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butyl-2,6-dimethylphenyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82488017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).