(2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol

C12H12BrN3O — CID 154281597

IUPAC(2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol
SMILESNc1ncc(Br)nc1[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H12BrN3O/c13-10-6-15-12(14)11(16-10)9(7-17)8-4-2-1-3-5-8/h1-6,9,17H,7H2,(H2,14,15)/t9-/m0/s1
InChIKeyOWMVLCDKODIMSF-VIFPVBQESA-N
MW294.15 g/mol
LogP1.95
Rot. Bonds3

About (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol

(2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol (PubChem CID 154281597) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol
PubChem CID154281597
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name(2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol
SMILESNc1ncc(Br)nc1[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H12BrN3O/c13-10-6-15-12(14)11(16-10)9(7-17)8-4-2-1-3-5-8/h1-6,9,17H,7H2,(H2,14,15)/t9-/m0/s1
InChIKeyOWMVLCDKODIMSF-VIFPVBQESA-N
XLogP1.95
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol?
The IUPAC name of (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol (CID 154281597) is (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol?
The canonical SMILES for (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol is Nc1ncc(Br)nc1[C@@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol?
The InChIKey is OWMVLCDKODIMSF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-6-15-12(14)11(16-10)9(7-17)8-4-2-1-3-5-8/h1-6,9,17H,7H2,(H2,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol?
(2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol has a molecular weight of 294.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-amino-6-bromopyrazin-2-yl)-2-phenylethanol is sourced from PubChem (CID 154281597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).