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CAS 5440-00-6 5,6-Diamino-1,3-dimethyluracil hydrate molecular structure lightbox
CAS RN: 5440-00-6

5,6-Diamino-1,3-dimethyluracil hydrate

  • Product code: SSC-162072
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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: ＞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 5440-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

5440-00-6 / 5,6-diamino-1,3-dimethylpyrimidine-2,4-dione

Standard CAS: 5440-00-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5440-00-6
Multi CAS
Yes
Molecular Formula
C6H10N4O2
Molecular Weight
170.170000
Exact Mass
170.080376
InChI
InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3
InChIKey
BGQNOPFTJROKJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
6
H-bond donors
2
Molar refractivity
45.75
TPSA
96.04

LogP / Solubility

WLOGP
-1.75
MLOGP
-1.54
XLogP3
-0.5
Consensus LogP
-1.26
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.69
Class (SILICOS-IT)
Highly 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)
-5

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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