6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine

C15H14FN3O — CID 114734823

IUPAC6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C15H14FN3O/c1-2-5-18-15-9-17-8-12(19-15)14-7-10-6-11(16)3-4-13(10)20-14/h3-4,6-9H,2,5H2,1H3,(H,18,19)
InChIKeyPAXYXGJDURZUKD-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.85
Rot. Bonds4

About 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine

6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine (PubChem CID 114734823) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
PubChem CID114734823
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C15H14FN3O/c1-2-5-18-15-9-17-8-12(19-15)14-7-10-6-11(16)3-4-13(10)20-14/h3-4,6-9H,2,5H2,1H3,(H,18,19)
InChIKeyPAXYXGJDURZUKD-UHFFFAOYSA-N
XLogP3.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 114734829
N-ethyl-6-(5-methyl-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734538
5-(5-fluoro-1-benzofuran-2-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 114734790
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
6-(5-fluoro-1-benzofuran-2-yl)-2-propylpyrimidin-4-amine
CID 114734785
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
4-(5-fluoro-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 114734817
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086
N,5-diethyl-6-(5-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734804

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine (CID 114734823) is 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine is CCCNc1cncc(-c2cc3cc(F)ccc3o2)n1.
What is the InChIKey of 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine?
The InChIKey is PAXYXGJDURZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-5-18-15-9-17-8-12(19-15)14-7-10-6-11(16)3-4-13(10)20-14/h3-4,6-9H,2,5H2,1H3,(H,18,19).
What are the key properties of 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine?
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine has a molecular weight of 271.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 114734823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).