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CAS 45695-56-5 2-Pyrimidinecarboximidamide (9CI) molecular structure lightbox
CAS RN: 45695-56-5

2-Pyrimidinecarboximidamide (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-153360
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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 45695-56-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

45695-56-5 / pyrimidine-2-carboximidamide

Standard CAS: 45695-56-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
45695-56-5
Multi CAS
Yes
Molecular Formula
C5H6N4
Molecular Weight
122.130000
Exact Mass
122.059246
InChI
InChI=1S/C5H6N4/c6-4(7)5-8-2-1-3-9-5/h1-3H,(H3,6,7)
InChIKey
SZSKAHAHBFDQKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.05
TPSA
75.65

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.22
XLogP3
-1.1
Consensus LogP
-0.52
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

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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