[email protected]
CAS 63931-22-6 5-Bromo-6-chloro-2-(methylthio)-4-pyrimidinamine molecular structure lightbox
CAS RN: 63931-22-6

5-Bromo-6-chloro-2-(methylthio)-4-pyrimidinamine

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 100mg In stock Tianjin Inquiry
Batchno.20250114 1g Out of stock Inquiry
Batchno.20260118 250mg In stock Tianjin Inquiry
Batchno.20260426 5g Out of stock Inquiry
  • Product code: starshine_CAS63931-22-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

63931-22-6 / 5-bromo-6-chloro-2-methylsulfanylpyrimidin-4-amine

Standard CAS: 63931-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63931-22-6
Multi CAS
No
Molecular Formula
C5H5BRCLN3S
Molecular Weight
254.540000
Exact Mass
252.907610
InChI
InChI=1S/C5H5BrClN3S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKey
OEEBWZSZLZXUBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.94
TPSA
51.8

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.4
Consensus LogP
2.18
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us