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CAS 152460-09-8 2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine molecular structure lightbox
CAS RN: 152460-09-8

2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260514 1g / 10g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-062284
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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: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 152460-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

152460-09-8 / N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine

Standard CAS: 152460-09-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152460-09-8
Multi CAS
No
Molecular Formula
C16H13N5O2
Molecular Weight
307.310000
Exact Mass
307.106925
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3
InChI
InChI=1S/C16H13N5O2/c1-11-4-5-13(21(22)23)9-15(11)20-16-18-8-6-14(19-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)
InChIKey
OJITWRFPRCHSMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.38
TPSA
93.84

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
2.9
Consensus LogP
3.16
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-2.11

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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