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CAS 16462-28-5 5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo- (9CI) molecular structure lightbox
CAS RN: 16462-28-5

5-Pyrimidinecarbonitrile, 4-amino-1,2-dihydro-2-oxo- (9CI)

  • Product code: SSC-071959
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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 16462-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

16462-28-5 / 6-amino-2-oxo-1H-pyrimidine-5-carbonitrile

Standard CAS: 16462-28-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16462-28-5
Multi CAS
No
Molecular Formula
C5H4N4O
Molecular Weight
136.110000
Exact Mass
136.038511
SMILES
C1=NC(=O)NC(=C1C#N)N
InChI
InChI=1S/C5H4N4O/c6-1-3-2-8-5(10)9-4(3)7/h2H,(H3,7,8,9,10)
InChIKey
KFDKBQHGALFUAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.99
TPSA
95.56

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.69
XLogP3
-0.7
Consensus LogP
-0.72
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.1
Class (SILICOS-IT)
Highly 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)
-4.1

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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