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CAS 16462-27-4 2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE molecular structure lightbox
CAS RN: 16462-27-4

2,4-DIAMINOPYRIMIDINE-5-CARBONITRILE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260529 1g In stock Shanghai Inquiry
Batchno.20251219 1g In stock Inquiry
Batchno.20260123 5g Out of stock Inquiry
  • Product code: SSC-071958
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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: ≥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 16462-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

16462-27-4 / 2,4-diaminopyrimidine-5-carbonitrile

Standard CAS: 16462-27-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16462-27-4
Multi CAS
No
Molecular Formula
C5H5N5
Molecular Weight
135.130000
Exact Mass
135.054495
SMILES
C1=C(C(=NC(=N1)N)N)C#N
InChI
InChI=1S/C5H5N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,(H4,7,8,9,10)
InChIKey
OYUQCQCQLDTRHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
35.57
TPSA
101.61

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.2
Consensus LogP
-0.38
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.89

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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