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CAS 56181-38-5 5-Bromo-N-methylpyrimidin-4-amine molecular structure lightbox
CAS RN: 56181-38-5

5-Bromo-N-methylpyrimidin-4-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250812 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56181-38-5
  • Purity/Analytical Methods: >99.0%
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56181-38-5 / 5-bromo-N-methylpyrimidin-4-amine

Standard CAS: 56181-38-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56181-38-5
Multi CAS
Yes
Molecular Formula
BC5H6Rn3
Molecular Weight
188.030000
Exact Mass
186.974510
InChI
InChI=1S/C5H6BrN3/c1-7-5-4(6)2-8-3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
ZRTRFVAUWLQCLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.28
TPSA
37.81

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
1.2
Consensus LogP
1.2
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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