(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide

C9H13BrN4OS — CID 104908637

IUPAC(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN4OS/c1-16-3-2-6(11)9(15)14-8-5-12-7(10)4-13-8/h4-6H,2-3,11H2,1H3,(H,13,14,15)/t6-/m1/s1
InChIKeyMLVSDRRVDYJDSU-ZCFIWIBFSA-N
MW305.20 g/mol
LogP1.26
Rot. Bonds5

About (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide (PubChem CID 104908637) has the molecular formula C9H13BrN4OS and a molecular weight of 305.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide
PubChem CID104908637
Molecular FormulaC9H13BrN4OS
Molecular Weight305.20 g/mol
Exact Mass304.00
IUPAC Name(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C9H13BrN4OS/c1-16-3-2-6(11)9(15)14-8-5-12-7(10)4-13-8/h4-6H,2-3,11H2,1H3,(H,13,14,15)/t6-/m1/s1
InChIKeyMLVSDRRVDYJDSU-ZCFIWIBFSA-N
XLogP1.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104908962
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
(2R)-2-amino-N-(6-methoxy-3-pyridinyl)-4-methylsulfanylbutanamide
CID 104906808
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104893696
(2S)-2-amino-N-(6-chloro-3-pyridinyl)-4-methylsulfanylbutanamide
CID 81425127
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
5-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]pyridine-2-carboxylic acid
CID 104908861
(2R)-2-amino-N-(3-bromoquinolin-8-yl)-4-methylsulfanylbutanamide
CID 104909142
(2S)-2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-methylsulfanylbutanamide
CID 104619288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide (CID 104908637) is (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)Nc1cnc(Br)cn1.
What is the InChIKey of (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is MLVSDRRVDYJDSU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13BrN4OS/c1-16-3-2-6(11)9(15)14-8-5-12-7(10)4-13-8/h4-6H,2-3,11H2,1H3,(H,13,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 305.20 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-bromopyrazin-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104908637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).