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CAS 37454-52-7 5-morpholinopyrimidine-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 37454-52-7

5-morpholinopyrimidine-2,4(1H,3H)-dione

  • Product code: SSC-144763
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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: 5g
  • 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 37454-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

37454-52-7 / 5-morpholin-4-yl-1H-pyrimidine-2,4-dione

Standard CAS: 37454-52-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37454-52-7
Multi CAS
Yes
Molecular Formula
C8H11N3O3
Molecular Weight
197.190000
Exact Mass
197.080041
InChI
InChI=1S/C8H11N3O3/c12-7-6(5-9-8(13)10-7)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKey
SIVJYKAWVLZRSX-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
4
H-bond donors
2
Molar refractivity
50.72
TPSA
78.19

LogP / Solubility

WLOGP
-1.1
MLOGP
-0.97
XLogP3
-1
Consensus LogP
-1.02
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.7

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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