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CAS 344334-37-8 Benzonitrile, 4-(5-amino-2-pyrimidinyl)- (9CI) molecular structure lightbox
CAS RN: 344334-37-8

Benzonitrile, 4-(5-amino-2-pyrimidinyl)- (9CI)

  • Product code: SSC-140893
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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 344334-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

344334-37-8 / 4-(5-aminopyrimidin-2-yl)benzonitrile

Standard CAS: 344334-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344334-37-8
Multi CAS
No
Molecular Formula
C11H8N4
Molecular Weight
196.210000
Exact Mass
196.074896
InChI
InChI=1S/C11H8N4/c12-5-8-1-3-9(4-2-8)11-14-6-10(13)7-15-11/h1-4,6-7H,13H2
InChIKey
ZUHYODFJXMGYJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.6
TPSA
75.59

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
0.9
Consensus LogP
1.3
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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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