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CAS 1027512-51-1 2-Bromo-6-(dimethylamino)pyrazine molecular structure lightbox
CAS RN: 1027512-51-1

2-Bromo-6-(dimethylamino)pyrazine

  • Product code: SSC-004088
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1027512-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1027512-51-1 / 6-bromo-N,N-dimethylpyrazin-2-amine

6-bromo-N,N-dimethylpyrazin-2-amine | 2-Pyrazinamine, 6-bromo-N,N-dimethyl- | MFCD10688568

Standard CAS: 1027512-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1027512-51-1
Multi CAS
No
Molecular Formula
C6H8BrN3
Molecular Weight
202.050000
Exact Mass
200.990160
SMILES
CN(C)C1=CN=CC(=N1)Br
InChI
InChI=1S/C6H8BrN3/c1-10(2)6-4-8-3-5(7)9-6/h3-4H,1-2H3
InChIKey
JWVZBBCKLDDCIQ-UHFFFAOYSA-N
Synonyms
6-bromo-N,N-dimethylpyrazin-2-amine 2-Pyrazinamine, 6-bromo-N,N-dimethyl- MFCD10688568 6-Bromo-N,N-dimethyl-2-pyrazinamine SCHEMBL11547584

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.06
TPSA
29.02

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
2
Consensus LogP
1.49
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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