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CAS 58023-98-6 5-bromo-4,6-diaminopyrimidine molecular structure lightbox
CAS RN: 58023-98-6

5-bromo-4,6-diaminopyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250814 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58023-98-6
  • Purity/Analytical Methods: >99.0%
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58023-98-6 / 5-bromopyrimidine-4,6-diamine

Standard CAS: 58023-98-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58023-98-6
Multi CAS
No
Molecular Formula
BC4H5Rn4
Molecular Weight
189.010000
Exact Mass
187.969760
InChI
InChI=1S/C4H5BrN4/c5-2-3(6)8-1-9-4(2)7/h1H,(H4,6,7,8,9)
InChIKey
WEQDWMONNXSLMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.56
TPSA
77.82

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.2
Consensus LogP
0.32
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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