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CAS 124491-42-5 Ethanone,1-(2-amino-5-pyrimidinyl)- molecular structure lightbox
CAS RN: 124491-42-5

Ethanone,1-(2-amino-5-pyrimidinyl)-

  • Product code: SSC-028362
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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 124491-42-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

124491-42-5 / 1-(2-aminopyrimidin-5-yl)ethanone

Standard CAS: 124491-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124491-42-5
Multi CAS
No
Molecular Formula
C6H7N3O
Molecular Weight
137.140000
Exact Mass
137.058912
SMILES
CC(=O)C1=CN=C(N=C1)N
InChI
InChI=1S/C6H7N3O/c1-4(10)5-2-8-6(7)9-3-5/h2-3H,1H3,(H2,7,8,9)
InChIKey
UYVRMDUESKFUJX-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
4
H-bond donors
1
Molar refractivity
36.45
TPSA
68.87

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
XLogP3
-0.5
Consensus LogP
-0.01
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.37

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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