N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine

C16H21N3 — CID 90272719

IUPACN-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine
SMILESCCc1cccc(-c2cncc(NC(C)CC)n2)c1
InChIInChI=1S/C16H21N3/c1-4-12(3)18-16-11-17-10-15(19-16)14-8-6-7-13(5-2)9-14/h6-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyRZOWEDISUNXNPF-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.92
Rot. Bonds5

About N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine

N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine (PubChem CID 90272719) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine
PubChem CID90272719
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine
SMILESCCc1cccc(-c2cncc(NC(C)CC)n2)c1
InChIInChI=1S/C16H21N3/c1-4-12(3)18-16-11-17-10-15(19-16)14-8-6-7-13(5-2)9-14/h6-12H,4-5H2,1-3H3,(H,18,19)
InChIKeyRZOWEDISUNXNPF-UHFFFAOYSA-N
XLogP3.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine?
The IUPAC name of N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine (CID 90272719) is N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine.
What is the SMILES notation for N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine?
The canonical SMILES for N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine is CCc1cccc(-c2cncc(NC(C)CC)n2)c1.
What is the InChIKey of N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine?
The InChIKey is RZOWEDISUNXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-12(3)18-16-11-17-10-15(19-16)14-8-6-7-13(5-2)9-14/h6-12H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine?
N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(3-ethylphenyl)pyrazin-2-amine is sourced from PubChem (CID 90272719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).