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CAS 90905-46-7 4,6-Dimethoxy-2-methylthiopyrimidine molecular structure lightbox
CAS RN: 90905-46-7

4,6-Dimethoxy-2-methylthiopyrimidine

  • Product code: SSC-203604
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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: 25g
  • Available purity: ＞97%
  • 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 90905-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

90905-46-7 / 4,6-dimethoxy-2-methylsulfanylpyrimidine

Standard CAS: 90905-46-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90905-46-7
Multi CAS
No
Molecular Formula
C7H10N2O2S
Molecular Weight
186.230000
Exact Mass
186.046299
InChI
InChI=1S/C7H10N2O2S/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChIKey
URSYQIBBJXLQBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
46.92
TPSA
44.24

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.7
Consensus LogP
1.33
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
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)
-2.99

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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