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CAS 568544-08-1 6-AMINO-1-BENZYL-5-(3-HYDROXY-PROPYLAMINO)-1H-PYRIMIDINE-2,4-DIONE molecular structure lightbox
CAS RN: 568544-08-1

6-AMINO-1-BENZYL-5-(3-HYDROXY-PROPYLAMINO)-1H-PYRIMIDINE-2,4-DIONE

  • Product code: SSC-164876
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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: ≥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 568544-08-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

568544-08-1 / 6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione

Standard CAS: 568544-08-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
568544-08-1
Multi CAS
No
Molecular Formula
C14H18N4O3
Molecular Weight
290.320000
Exact Mass
290.137890
InChI
InChI=1S/C14H18N4O3/c15-12-11(16-7-4-8-19)13(20)17-14(21)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,16,19H,4,7-9,15H2,(H,17,20,21)
InChIKey
LVWWXUCAQXTOPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
81.47
TPSA
113.14

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.02
XLogP3
0.6
Consensus LogP
0.18
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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