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CAS 109831-70-1 5-Pyrimidinecarbonitrile, 4,6-diamino- (9CI) molecular structure lightbox
CAS RN: 109831-70-1

5-Pyrimidinecarbonitrile, 4,6-diamino- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-011139
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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 109831-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

109831-70-1 / 4,6-diaminopyrimidine-5-carbonitrile

4,6-DIAMINOPYRIMIDINE-5-CARBONITRILE | 5-Pyrimidinecarbonitrile, 4,6-diamino- (9CI) | MFCD07760605

Standard CAS: 109831-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109831-70-1
Multi CAS
No
Molecular Formula
C5H5N5
Molecular Weight
135.130000
Exact Mass
135.054495
SMILES
C1=NC(=C(C(=N1)N)C#N)N
InChI
InChI=1S/C5H5N5/c6-1-3-4(7)9-2-10-5(3)8/h2H,(H4,7,8,9,10)
InChIKey
BTVHLEVGNAQTBN-UHFFFAOYSA-N
Synonyms
4,6-DIAMINOPYRIMIDINE-5-CARBONITRILE 5-Pyrimidinecarbonitrile, 4,6-diamino- (9CI) MFCD07760605 SCHEMBL890661 BTVHLEVGNAQTBN-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

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