CAS RN: 7254-29-7
2-amino-5-nitropyrimidin-4(3H)-one
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.20260103 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7254-29-7
- Purity/Analytical Methods: >99.0%
7254-29-7 / 2-amino-5-nitro-1H-pyrimidin-6-one
Basic Information
CAS
7254-29-7
Multi CAS
Yes
Molecular Formula
C4H4N4O3
Molecular Weight
156.100000
Exact Mass
156.028340
InChI
InChI=1S/C4H4N4O3/c5-4-6-1-2(8(10)11)3(9)7-4/h1H,(H3,5,6,7,9)
InChIKey
XQMCRIHJUALWCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
35.92
TPSA
114.91
LogP / Solubility
WLOGP
-0.74
MLOGP
-0.66
XLogP3
-1.3
Consensus LogP
-0.9
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
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)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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