CAS RN: 679844-18-9
5-ethynyl-2-(5-ethynylpyrimidin-2-yl)pyrimidine
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.20260105 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE887174
679844-18-9 / 5-ethynyl-2-(5-ethynylpyrimidin-2-yl)pyrimidine
Basic Information
CAS
679844-18-9
Multi CAS
No
Molecular Formula
C12H6N4
Molecular Weight
206.200000
Exact Mass
206.059246
InChI
InChI=1S/C12H6N4/c1-3-9-5-13-11(14-6-9)12-15-7-10(4-2)8-16-12/h1-2,5-8H
InChIKey
XYXWDJJDLQKJDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.93
TPSA
51.56
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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