[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine

C15H19N3S — CID 62685534

IUPAC[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine
SMILESCC(C)(C)c1ccc(Sc2nccnc2CN)cc1
InChIInChI=1S/C15H19N3S/c1-15(2,3)11-4-6-12(7-5-11)19-14-13(10-16)17-8-9-18-14/h4-9H,10,16H2,1-3H3
InChIKeyIZMNFWFZNSRKBW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.38
Rot. Bonds3

About [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine

[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine (PubChem CID 62685534) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine
PubChem CID62685534
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine
SMILESCC(C)(C)c1ccc(Sc2nccnc2CN)cc1
InChIInChI=1S/C15H19N3S/c1-15(2,3)11-4-6-12(7-5-11)19-14-13(10-16)17-8-9-18-14/h4-9H,10,16H2,1-3H3
InChIKeyIZMNFWFZNSRKBW-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine?
The IUPAC name of [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine (CID 62685534) is [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine is CC(C)(C)c1ccc(Sc2nccnc2CN)cc1.
What is the InChIKey of [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine?
The InChIKey is IZMNFWFZNSRKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2,3)11-4-6-12(7-5-11)19-14-13(10-16)17-8-9-18-14/h4-9H,10,16H2,1-3H3.
What are the key properties of [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine?
[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine is sourced from PubChem (CID 62685534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).