2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine

C11H11FN4O — CID 80647697

IUPAC2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
SMILESCOc1ccc(F)c(Nc2cncc(N)n2)c1
InChIInChI=1S/C11H11FN4O/c1-17-7-2-3-8(12)9(4-7)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16)
InChIKeyHQKFZWITCBWBDA-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.95
Rot. Bonds3

About 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine

2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine (PubChem CID 80647697) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
PubChem CID80647697
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine
SMILESCOc1ccc(F)c(Nc2cncc(N)n2)c1
InChIInChI=1S/C11H11FN4O/c1-17-7-2-3-8(12)9(4-7)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16)
InChIKeyHQKFZWITCBWBDA-UHFFFAOYSA-N
XLogP1.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine (CID 80647697) is 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine is COc1ccc(F)c(Nc2cncc(N)n2)c1.
What is the InChIKey of 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine?
The InChIKey is HQKFZWITCBWBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-17-7-2-3-8(12)9(4-7)15-11-6-14-5-10(13)16-11/h2-6H,1H3,(H3,13,15,16).
What are the key properties of 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine?
2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine has a molecular weight of 234.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoro-5-methoxyphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80647697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).