CAS RN: 1450930-95-6
6-METHOXYPYRIMIDINE-4-CARBONITRILE
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.20250727 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1450930-95-6
- Purity/Analytical Methods: >99.0%
1450930-95-6 / 6-methoxypyrimidine-4-carbonitrile
Basic Information
CAS
1450930-95-6
Multi CAS
No
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
SMILES
COC1=NC=NC(=C1)C#N
InChI
InChI=1S/C6H5N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,1H3
InChIKey
OOUKVQBOJCUSAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
33.3
TPSA
58.8
LogP / Solubility
WLOGP
0.36
MLOGP
0.31
XLogP3
0.6
Consensus LogP
0.42
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1451002-39-3 Chloro(2-dicyclohexylphosphino-3,6-diMethoxy-2′,4′,6′-tri-i-propyl-1,1′-biphenyl)(2′-aMino-1,1′-biphenyl-2-yl)palladiuM(II), Min. 98% [BrettPhos Palladacycle] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451002-39-3.gif)
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![CAS 1451057-19-4 (1R,1’R)-1,1’-[(S)-[1,1’-Binaphthalene]-2,2’-diyl]bis(2-propen-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-19-4.gif)
![CAS 1451057-21-8 (alpha2R,alpha2’R,1S)-alpha2-Ethenyl-alpha2’-phenyl-[1,1’-binaphthalene]-2,2’-dimethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-21-8.gif)