CAS RN: 108444-56-0
2-Pyrimidinamine, 5-ethenyl- (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.20260204 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS108444-56-0
- Purity/Analytical Methods: >99.0%
108444-56-0 / 5-ethenylpyrimidin-2-amine
5-ETHENYLPYRIMIDIN-2-AMINE | DTXSID70545675 | RefChem:302830
Basic Information
CAS
108444-56-0
Multi CAS
No
Molecular Formula
C6H7N3
Molecular Weight
121.140000
Exact Mass
121.063997
SMILES
C=CC1=CN=C(N=C1)N
InChI
InChI=1S/C6H7N3/c1-2-5-3-8-6(7)9-4-5/h2-4H,1H2,(H2,7,8,9)
InChIKey
LUYOMLHOURXTCL-UHFFFAOYSA-N
Synonyms
5-ETHENYLPYRIMIDIN-2-AMINE
DTXSID70545675
RefChem:302830
DTXCID50496459
858-805-5
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.54
TPSA
51.8
LogP / Solubility
WLOGP
0.7
MLOGP
0.61
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-2.96
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]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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