CAS RN: 1173984-09-2
2-methoxy-4,6-dimethyl-5-nitropyrimidine(WXC01863)
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.20260504 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1173984-09-2
- Purity/Analytical Methods: >99.0%
1173984-09-2 / 2-methoxy-4,6-dimethyl-5-nitropyrimidine
2-methoxy-4,6-dimethyl-5-nitropyrimidine | MFCD31652404 | SCHEMBL3668058
Basic Information
CAS
1173984-09-2
Multi CAS
No
Molecular Formula
C7H9N3O3
Molecular Weight
183.160000
Exact Mass
183.064391
SMILES
CC1=C(C(=NC(=N1)OC)C)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O3/c1-4-6(10(11)12)5(2)9-7(8-4)13-3/h1-3H3
InChIKey
KPLDTEBEKUVBDS-UHFFFAOYSA-N
Synonyms
2-methoxy-4,6-dimethyl-5-nitropyrimidine
MFCD31652404
SCHEMBL3668058
KPLDTEBEKUVBDS-UHFFFAOYSA-N
AKOS037645910
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
44.71
TPSA
78.15
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1.1
Consensus LogP
1
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
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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