2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol

C20H17N3O2 — CID 164615408

IUPAC2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESOCC(Nc1cncc(-c2ccc3occc3c2)n1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c24-13-18(14-4-2-1-3-5-14)23-20-12-21-11-17(22-20)15-6-7-19-16(10-15)8-9-25-19/h1-12,18,24H,13H2,(H,22,23)
InChIKeyGZRCLUCDZDBXIH-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.04
Rot. Bonds5

About 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol

2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (PubChem CID 164615408) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
PubChem CID164615408
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESOCC(Nc1cncc(-c2ccc3occc3c2)n1)c1ccccc1
InChIInChI=1S/C20H17N3O2/c24-13-18(14-4-2-1-3-5-14)23-20-12-21-11-17(22-20)15-6-7-19-16(10-15)8-9-25-19/h1-12,18,24H,13H2,(H,22,23)
InChIKeyGZRCLUCDZDBXIH-UHFFFAOYSA-N
XLogP4.04
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-[6-[[(1R)-2-hydroxy-1-phenylethyl]amino]pyrazin-2-yl]phenol
CID 136509632
2-methoxy-4-[6-(1-phenylpropylamino)pyrazin-2-yl]phenol
CID 135428154
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
CID 129369078
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
N-(1-phenylbutyl)-6-[4-(piperidin-1-ylmethyl)phenyl]pyrazin-2-amine
CID 11395490
6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;methane
CID 159299405
(2S)-2-[(5-bromopyrimidin-2-yl)amino]-2-phenylethanol
CID 95179696
2-[[5-(1,3-benzodioxol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 90220993
6-(3-chloro-4-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 58717096
6-(1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 127035529
2-[(6-amino-2-pyridinyl)amino]-2-phenylethanol
CID 80647264

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol (CID 164615408) is 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is OCC(Nc1cncc(-c2ccc3occc3c2)n1)c1ccccc1.
What is the InChIKey of 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
The InChIKey is GZRCLUCDZDBXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-13-18(14-4-2-1-3-5-14)23-20-12-21-11-17(22-20)15-6-7-19-16(10-15)8-9-25-19/h1-12,18,24H,13H2,(H,22,23).
What are the key properties of 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol?
2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol has a molecular weight of 331.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-benzofuran-5-yl)pyrazin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 164615408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).