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CAS 64571-34-2 4-Pyrimidinecarbonitrile, 2-methyl- (9CI) molecular structure lightbox
CAS RN: 64571-34-2

4-Pyrimidinecarbonitrile, 2-methyl- (9CI)

  • Product code: SSC-174302
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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: ＞97%
  • 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 64571-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

64571-34-2 / 2-methylpyrimidine-4-carbonitrile

Standard CAS: 64571-34-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64571-34-2
Multi CAS
No
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
InChI
InChI=1S/C6H5N3/c1-5-8-3-2-6(4-7)9-5/h2-3H,1H3
InChIKey
MYCDLLAVPSEMGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
31.48
TPSA
49.57

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
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)
-2.98

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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