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CAS 475486-89-6 4(1H)-Pyrimidinone,2-acetyl- molecular structure lightbox
CAS RN: 475486-89-6

4(1H)-Pyrimidinone,2-acetyl-

  • Product code: SSC-154525
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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 475486-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

475486-89-6 / 2-acetyl-1H-pyrimidin-6-one

Standard CAS: 475486-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
475486-89-6
Multi CAS
No
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
InChI
InChI=1S/C6H6N2O2/c1-4(9)6-7-3-2-5(10)8-6/h2-3H,1H3,(H,7,8,10)
InChIKey
MNRXDAAOMHCXOU-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
34.86
TPSA
62.82

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.8
Consensus LogP
-0.29
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.58

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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