CAS RN: 102570-64-9
2,5-Bis(4-Aminophenyl)pyrimdine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250801 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS102570-64-9
- Purity/Analytical Methods: >99.0%
102570-64-9 / 4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline
4,4'-(Pyrimidine-2,5-diyl)dianiline | 2,5-Bis(4-Aminophenyl)pyrimdine | 2,5-BIS(4-AMINOPHENYL)-PYRIMIDINE
Basic Information
CAS
102570-64-9
Multi CAS
No
Molecular Formula
C16H14N4
Molecular Weight
262.310000
Exact Mass
262.121846
SMILES
C1=CC(=CC=C1C2=CN=C(N=C2)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C16H14N4/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H,17-18H2
InChIKey
LJQRDZHDYMOIIO-UHFFFAOYSA-N
Synonyms
4,4'-(Pyrimidine-2,5-diyl)dianiline
2,5-Bis(4-Aminophenyl)pyrimdine
2,5-BIS(4-AMINOPHENYL)-PYRIMIDINE
4-[2-(4-aminophenyl)pyrimidin-5-yl]aniline
4,4'-pyrimidine-2,5-diyldianiline
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.73
TPSA
77.82
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.1
Consensus LogP
2.57
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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