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CAS 16166-22-6 Acetamide, N-4-pyrimidinyl- (8CI,9CI) molecular structure lightbox
CAS RN: 16166-22-6

Acetamide, N-4-pyrimidinyl- (8CI,9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-069276
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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: ＞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 16166-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

16166-22-6 / N-pyrimidin-4-ylacetamide

Standard CAS: 16166-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16166-22-6
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
SMILES
CC(=O)NC1=NC=NC=C1
InChI
InChI=1S/C6H7N3O/c1-5(10)9-6-2-3-7-4-8-6/h2-4H,1H3,(H,7,8,9,10)
InChIKey
MVCZKPMTGFFULA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.34
TPSA
54.88

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
Consensus LogP
0.27
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.25

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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