CAS RN: 160948-33-4
2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-
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.20251012 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS160948-33-4
- Purity/Analytical Methods: >99.0%
160948-33-4 / 4-methyl-5-nitro-6-phenylmethoxypyrimidin-2-amine
Basic Information
CAS
160948-33-4
Multi CAS
No
Molecular Formula
C12H12N4O3
Molecular Weight
260.250000
Exact Mass
260.090940
SMILES
CC1=C(C(=NC(=N1)N)OCC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H12N4O3/c1-8-10(16(17)18)11(15-12(13)14-8)19-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,13,14,15)
InChIKey
QRPFYXCKZRCRTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
68.61
TPSA
104.17
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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