CAS RN: 500161-23-9
4(1H)-Pyrimidinone,2-amino-6-hydroxy-5-(1-methylethyl)-(9CI)
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.20260610 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS500161-23-9
- Purity/Analytical Methods: >99.0%
500161-23-9 / 2-amino-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
Basic Information
CAS
500161-23-9
Multi CAS
Yes
Molecular Formula
C7H11N3O2
Molecular Weight
169.180000
Exact Mass
169.085127
InChI
InChI=1S/C7H11N3O2/c1-3(2)4-5(11)9-7(8)10-6(4)12/h3H,1-2H3,(H4,8,9,10,11,12)
InChIKey
GWBXUTJCYUUSDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
45.02
TPSA
92
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
-0.3
Consensus LogP
0.01
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-3.62
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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