(2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol

C12H13BrN4O — CID 86626383

IUPAC(2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol
SMILESNc1ncc(Br)nc1N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H13BrN4O/c13-10-6-15-11(14)12(17-10)16-9(7-18)8-4-2-1-3-5-8/h1-6,9,18H,7H2,(H2,14,15)(H,16,17)/t9-/m0/s1
InChIKeyUYCWRZLPEAYWEY-VIFPVBQESA-N
MW309.17 g/mol
LogP1.97
Rot. Bonds4

About (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol

(2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol (PubChem CID 86626383) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol
PubChem CID86626383
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name(2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol
SMILESNc1ncc(Br)nc1N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H13BrN4O/c13-10-6-15-11(14)12(17-10)16-9(7-18)8-4-2-1-3-5-8/h1-6,9,18H,7H2,(H2,14,15)(H,16,17)/t9-/m0/s1
InChIKeyUYCWRZLPEAYWEY-VIFPVBQESA-N
XLogP1.97
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol (CID 86626383) is (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol is Nc1ncc(Br)nc1N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol?
The InChIKey is UYCWRZLPEAYWEY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-10-6-15-11(14)12(17-10)16-9(7-18)8-4-2-1-3-5-8/h1-6,9,18H,7H2,(H2,14,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol?
(2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol has a molecular weight of 309.17 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-6-bromopyrazin-2-yl)amino]-2-phenylethanol is sourced from PubChem (CID 86626383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).