N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine

C15H19N3S — CID 80885114

IUPACN-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine
SMILESCCNc1cncc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H19N3S/c1-4-17-14-9-16-10-15(18-14)19-13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3,(H,17,18)
InChIKeyNANPBJGRAWAZHZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.18
Rot. Bonds5

About N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine

N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine (PubChem CID 80885114) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine
PubChem CID80885114
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine
SMILESCCNc1cncc(Sc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C15H19N3S/c1-4-17-14-9-16-10-15(18-14)19-13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3,(H,17,18)
InChIKeyNANPBJGRAWAZHZ-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine?
The IUPAC name of N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine (CID 80885114) is N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine is CCNc1cncc(Sc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine?
The InChIKey is NANPBJGRAWAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-4-17-14-9-16-10-15(18-14)19-13-7-5-12(6-8-13)11(2)3/h5-11H,4H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine?
N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine has a molecular weight of 273.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-propan-2-ylphenyl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80885114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).