CAS RN: 872511-30-3
6-Chloro-N-ethylpyrimidin-4-amine
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.20250703 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS872511-30-3
- Purity/Analytical Methods: >99.0%
872511-30-3 / 6-chloro-N-ethylpyrimidin-4-amine
Basic Information
CAS
872511-30-3
Multi CAS
Yes
Molecular Formula
C6H8CLN3
Molecular Weight
157.600000
Exact Mass
157.040675
InChI
InChI=1S/C6H8ClN3/c1-2-8-6-3-5(7)9-4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
InChIKey
PCOIHHDNCUROLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.21
TPSA
37.81
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
1.8
Consensus LogP
1.58
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.57
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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