CAS RN: 1187386-42-0
2-(5-Bromopyrimidin-2-ylamino)ethanol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251103 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1187386-42-0
- Purity/Analytical Methods: >99.0%
1187386-42-0 / 2-[(5-bromopyrimidin-2-yl)amino]ethanol
2-((5-Bromopyrimidin-2-yl)amino)ethanol | 5-BROMO-2-(2-HYDROXYETHYLAMINO)PYRIMIDINE | 2-[(5-bromopyrimidin-2-yl)amino]ethanol
Basic Information
CAS
1187386-42-0
Multi CAS
No
Molecular Formula
C6H8BrN3O
Molecular Weight
218.050000
Exact Mass
216.985070
SMILES
C1=C(C=NC(=N1)NCCO)Br
InChI
InChI=1S/C6H8BrN3O/c7-5-3-9-6(10-4-5)8-1-2-11/h3-4,11H,1-2H2,(H,8,9,10)
InChIKey
ZOWWENNIWOWMQL-UHFFFAOYSA-N
Synonyms
2-((5-Bromopyrimidin-2-yl)amino)ethanol
5-BROMO-2-(2-HYDROXYETHYLAMINO)PYRIMIDINE
2-[(5-bromopyrimidin-2-yl)amino]ethanol
MFCD12546488
2-[(5-Bromopyrimidin-2-yl)amino]ethan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.31
TPSA
58.04
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
XLogP3
0.5
Consensus LogP
0.57
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.59
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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