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CAS 155087-34-6 2-AMINO-4-CHLORO-6-MORPHOLIN-4-YLPYRIMIDINE-5-CARBALDEHYDE molecular structure lightbox
CAS RN: 155087-34-6

2-AMINO-4-CHLORO-6-MORPHOLIN-4-YLPYRIMIDINE-5-CARBALDEHYDE

  • Product code: SSC-064401
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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 155087-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

155087-34-6 / 2-amino-4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde

Standard CAS: 155087-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
155087-34-6
Multi CAS
No
Molecular Formula
C9H11ClN4O2
Molecular Weight
242.660000
Exact Mass
242.057053
SMILES
C1COCCN1C2=C(C(=NC(=N2)N)Cl)C=O
InChI
InChI=1S/C9H11ClN4O2/c10-7-6(5-15)8(13-9(11)12-7)14-1-3-16-4-2-14/h5H,1-4H2,(H2,11,12,13)
InChIKey
AOBJTIHXAZNGDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.87
TPSA
81.34

LogP / Solubility

WLOGP
0.36
MLOGP
0.32
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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