CAS RN: 1797409-11-0
1-(4-Amino-phenyl)-1H-pyrimidine-2,4-dione
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.20250506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1797409-11-0
- Purity/Analytical Methods: >99.0%
1797409-11-0 / 1-(4-aminophenyl)pyrimidine-2,4-dione
Basic Information
CAS
1797409-11-0
Multi CAS
No
Molecular Formula
C10H9N3O2
Molecular Weight
203.200000
Exact Mass
203.069477
SMILES
C1=CC(=CC=C1N)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H9N3O2/c11-7-1-3-8(4-2-7)13-6-5-9(14)12-10(13)15/h1-6H,11H2,(H,12,14,15)
InChIKey
QAHLJTUTRRABTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.07
TPSA
80.88
LogP / Solubility
WLOGP
0.11
MLOGP
0.1
XLogP3
0.1
Consensus LogP
0.1
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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