2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine

C16H14N4O — CID 70687393

IUPAC2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4O/c17-15-10-18-11-16(20-15)19-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H3,17,19,20)
InChIKeyVUMYRGFVDHGXHW-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.59
Rot. Bonds4

About 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine

2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine (PubChem CID 70687393) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine
PubChem CID70687393
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine
SMILESNc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C16H14N4O/c17-15-10-18-11-16(20-15)19-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H3,17,19,20)
InChIKeyVUMYRGFVDHGXHW-UHFFFAOYSA-N
XLogP3.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine (CID 70687393) is 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine is Nc1cncc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine?
The InChIKey is VUMYRGFVDHGXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-15-10-18-11-16(20-15)19-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H3,17,19,20).
What are the key properties of 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine?
2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine has a molecular weight of 278.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenoxyphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 70687393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).