CAS RN: 85658-55-5
2-AMINO-5-BROMO-4-PHENYLPYRIMIDINE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS85658-55-5
- Purity/Analytical Methods: >99.0%
85658-55-5 / 5-bromo-4-phenylpyrimidin-2-amine
Basic Information
CAS
85658-55-5
Multi CAS
No
Molecular Formula
BC10H8Rn3
Molecular Weight
250.090000
Exact Mass
248.990160
InChI
InChI=1S/C10H8BrN3/c11-8-6-13-10(12)14-9(8)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKey
FSUHHAQAUXBQJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.58
TPSA
51.8
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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