CAS RN: 769-97-1
4-PyriMidinecarboxaMide, 1,2,3,6-tetrahydro-2,6-dioxo-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260204 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS769-97-1
- Purity/Analytical Methods: >99.0%
769-97-1 / 2,4-dioxo-1H-pyrimidine-6-carboxamide
Basic Information
CAS
769-97-1
Multi CAS
Yes
Molecular Formula
C5H5N3O3
Molecular Weight
155.110000
Exact Mass
155.033091
InChI
InChI=1S/C5H5N3O3/c6-4(10)2-1-3(9)8-5(11)7-2/h1H,(H2,6,10)(H2,7,8,9,11)
InChIKey
HKFHIZASFFTQOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.2
TPSA
108.81
LogP / Solubility
WLOGP
-1.84
MLOGP
-1.62
XLogP3
-2.1
Consensus LogP
-1.85
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
0.5
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
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)
-4.97
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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