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CAS 55474-90-3 (4,6-dimethylpyrimidin-2-yl)cyanamide molecular structure lightbox
CAS RN: 55474-90-3

(4,6-dimethylpyrimidin-2-yl)cyanamide

  • Product code: SSC-163388
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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 55474-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

55474-90-3 / (4,6-dimethylpyrimidin-2-yl)cyanamide

Standard CAS: 55474-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55474-90-3
Multi CAS
No
Molecular Formula
C7H8N4
Molecular Weight
148.170000
Exact Mass
148.074896
InChI
InChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11)
InChIKey
IOQKVEQARXJQKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.74
TPSA
61.6

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
1.4
Consensus LogP
1.08
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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