CAS RN: 181065-58-7
N-(4-Nitrophenyl)-4-(3-pyridyl)-2-pyriMidineaMine
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.20250120 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS181065-58-7
- Purity/Analytical Methods: >99.0%
181065-58-7 / N-(4-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
Basic Information
CAS
181065-58-7
Multi CAS
No
Molecular Formula
C15H11N5O2
Molecular Weight
293.280000
Exact Mass
293.091275
SMILES
C1=CC(=CN=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N5O2/c21-20(22)13-5-3-12(4-6-13)18-15-17-9-7-14(19-15)11-2-1-8-16-10-11/h1-10H,(H,17,18,19)
InChIKey
FVQWXFRXLNCDJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
81.64
TPSA
93.84
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
2.5
Consensus LogP
2.84
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24
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
2.5
Customers Also Viewed
-
-
(S)-3-amino-5-methylhexanoicacidmethylester
- CAS RN: 181075-66-1
- Product Code: starshine_CAS181075-66-1
- Purity/Analytical method: >99.0%
-
-
1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 181114-98-7
- Product Code: SSC-082368
-
-
