![CAS 6713-54-8 2,4,6,8-Tetrahydroxypyrimido[5,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/46947100.gif)
CAS RN: 6713-54-8
2,4,6,8-Tetrahydroxypyrimido[5,4-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: LINT889005
6713-54-8 / 1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8-tetrone
Basic Information
CAS
6713-54-8
Multi CAS
Yes
Molecular Formula
C6H4N4O4
Molecular Weight
196.120000
Exact Mass
196.023255
InChI
InChI=1S/C6H4N4O4/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1/h(H2,7,10,12,13)(H2,8,9,11,14)
InChIKey
ZEKJTVBUDUYZOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
4
Molar refractivity
46.43
TPSA
131.44
LogP / Solubility
WLOGP
-2.41
MLOGP
-2.12
XLogP3
-2
Consensus LogP
-2.18
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.06
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)
-5.63
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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