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CAS 63291-55-4 4-Chloro-N-methyl-6-(methylsulfanyl)pyrimidin-5-amine molecular structure lightbox
CAS RN: 63291-55-4

4-Chloro-N-methyl-6-(methylsulfanyl)pyrimidin-5-amine

  • Product code: SSC-172908
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 63291-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

63291-55-4 / 4-chloro-N-methyl-6-methylsulfanylpyrimidin-5-amine

Standard CAS: 63291-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63291-55-4
Multi CAS
No
Molecular Formula
C6H8CLN3S
Molecular Weight
189.670000
Exact Mass
189.012746
InChI
InChI=1S/C6H8ClN3S/c1-8-4-5(7)9-3-10-6(4)11-2/h3,8H,1-2H3
InChIKey
IPJCSPUOYKXVFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.37
TPSA
37.81

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.53

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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