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CAS 16341-54-1 5-Pyrimidinecarbonitrile, 2-amino-4,6-dimethyl- (8CI,9CI) molecular structure lightbox
CAS RN: 16341-54-1

5-Pyrimidinecarbonitrile, 2-amino-4,6-dimethyl- (8CI,9CI)

  • Product code: SSC-070993
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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 16341-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

16341-54-1 / 2-amino-4,6-dimethylpyrimidine-5-carbonitrile

Standard CAS: 16341-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16341-54-1
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
SMILES
CC1=C(C(=NC(=N1)N)C)C#N
InChI
InChI=1S/C7H8N4/c1-4-6(3-8)5(2)11-7(9)10-4/h1-2H3,(H2,9,10,11)
InChIKey
ANGZOXLMUQBFLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.63
TPSA
75.59

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.4
Consensus LogP
0.48
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
Class (SILICOS-IT)
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)
-3.24

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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