![CAS 150784-74-0 N-[4-(Pyridin-3-yl)pyriMidin-2-yl]benzene-1,4-diaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150784-74-0.gif)
CAS RN: 150784-74-0
N-[4-(Pyridin-3-yl)pyriMidin-2-yl]benzene-1,4-diaMine
- Product code: SSC-060700
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
150784-74-0 / 4-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine
Basic Information
CAS
150784-74-0
Multi CAS
No
Molecular Formula
C15H13N5
Molecular Weight
263.300000
Exact Mass
263.117095
SMILES
C1=CC(=CN=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N
InChI
InChI=1S/C15H13N5/c16-12-3-5-13(6-4-12)19-15-18-9-7-14(20-15)11-2-1-8-17-10-11/h1-10H,16H2,(H,18,19,20)
InChIKey
PIBQBVVEKOXUHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
79.4
TPSA
76.72
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2
Consensus LogP
2.46
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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