2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine

C13H14N4O — CID 78988897

IUPAC2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C13H14N4O/c14-12-7-15-8-13(17-12)16-6-10-5-9-3-1-2-4-11(9)18-10/h1-4,7-8,10H,5-6H2,(H3,14,16,17)
InChIKeyPZTMPKKKVGXELL-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.47
Rot. Bonds3

About 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine (PubChem CID 78988897) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
PubChem CID78988897
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCC2Cc3ccccc3O2)n1
InChIInChI=1S/C13H14N4O/c14-12-7-15-8-13(17-12)16-6-10-5-9-3-1-2-4-11(9)18-10/h1-4,7-8,10H,5-6H2,(H3,14,16,17)
InChIKeyPZTMPKKKVGXELL-UHFFFAOYSA-N
XLogP1.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,5-diamine
CID 80652598
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-ethoxypyridine-2,5-diamine
CID 62233906
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80903962
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80797490
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80822499
6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099790
6-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547099
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine (CID 78988897) is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine is Nc1cncc(NCC2Cc3ccccc3O2)n1.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is PZTMPKKKVGXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-12-7-15-8-13(17-12)16-6-10-5-9-3-1-2-4-11(9)18-10/h1-4,7-8,10H,5-6H2,(H3,14,16,17).
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine?
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 78988897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).