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CAS 951884-54-1 6-Chloro-2-(methylthio)-N-isopropylpyrimidin-4-amine molecular structure lightbox
CAS RN: 951884-54-1

6-Chloro-2-(methylthio)-N-isopropylpyrimidin-4-amine

  • Product code: SSC-210450
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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: 1g
  • 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 951884-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

951884-54-1 / 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

Standard CAS: 951884-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
951884-54-1
Multi CAS
No
Molecular Formula
C8H12CLN3S
Molecular Weight
217.720000
Exact Mass
217.044046
InChI
InChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12)
InChIKey
UFIHRHMWSNBGPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.58
TPSA
37.81

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
3.1
Consensus LogP
2.71
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

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

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