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CAS 3549-05-1 6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE molecular structure lightbox
CAS RN: 3549-05-1

6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251119 1g In stock Shanghai Inquiry
  • Product code: SSC-142503
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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: ≥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 3549-05-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

3549-05-1 / 6-chloro-2-morpholin-4-ylpyrimidin-4-amine

Standard CAS: 3549-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3549-05-1
Multi CAS
No
Molecular Formula
C8H11CLN4O
Molecular Weight
214.650000
Exact Mass
214.062139
InChI
InChI=1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKey
CAPWCRRKZOKFTE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.49
TPSA
64.27

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.9
Consensus LogP
0.64
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.64

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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