Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
289-95-2 / pyrimidine
Basic Information
CAS
289-95-2
Multi CAS
No
Molecular Formula
C4H4N2
Molecular Weight
80.090000
Exact Mass
80.037448
InChI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChIKey
CZPWVGJYEJSRLH-UHFFFAOYSA-N
Physical Properties
Melting Point
22 °C
Physical Description
Liquid or solid with a penetrating odor; mp = 20-22 deg C; [Merck Index] Clear, slightly brownish-yellow liquid; Hygroscopic; mp = 19 deg C;
Solid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
22.03
TPSA
25.78
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
-0.4
Consensus LogP
0.16
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-(5-Amino-2-methylanilino)-4-(3-pyridyl)pyrimidine
- CAS RN: 152460-10-1
- Product Code: SSC-062285
-
-
-
-
