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CAS 15568-46-4 4-Pyrimidinamine, 5-nitro- (9CI) molecular structure lightbox
CAS RN: 15568-46-4

4-Pyrimidinamine, 5-nitro- (9CI)

  • Product code: SSC-064921
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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 15568-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

15568-46-4 / 5-nitropyrimidin-4-amine

Standard CAS: 15568-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15568-46-4
Multi CAS
No
Molecular Formula
C4H4N4O2
Molecular Weight
140.100000
Exact Mass
140.033425
SMILES
C1=C(C(=NC=N1)N)[N+](=O)[O-]
InChI
InChI=1S/C4H4N4O2/c5-4-3(8(9)10)1-6-2-7-4/h1-2H,(H2,5,6,7)
InChIKey
IUPXWOAZKBCBLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
33.1
TPSA
94.94

LogP / Solubility

WLOGP
-0.03
MLOGP
-0.04
XLogP3
0.2
Consensus LogP
0.04
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.6

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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