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CAS 23126-82-1 N4-METHYL-6-CHLORO-5-NITROPYRIMIDIN-4-AMINE molecular structure lightbox
CAS RN: 23126-82-1

N4-METHYL-6-CHLORO-5-NITROPYRIMIDIN-4-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-112613
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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: 1g
  • Available purity: ＞95%
  • 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 23126-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

23126-82-1 / 6-chloro-N-methyl-5-nitropyrimidin-4-amine

Standard CAS: 23126-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23126-82-1
Multi CAS
No
Molecular Formula
C5H5ClN4O2
Molecular Weight
188.570000
Exact Mass
188.010103
SMILES
CNC1=C(C(=NC=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H5ClN4O2/c1-7-5-3(10(11)12)4(6)8-2-9-5/h2H,1H3,(H,7,8,9)
InChIKey
HJCNZFOBWVEBNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.24
TPSA
80.95

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.9
Consensus LogP
1.31
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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