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CAS 2417-17-6 2-aMino-3-MethylpyriMidin-4(3H)-one molecular structure lightbox
CAS RN: 2417-17-6

2-aMino-3-MethylpyriMidin-4(3H)-one

  • Product code: SSC-118064
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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 2417-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

2417-17-6 / 2-amino-3-methylpyrimidin-4-one

Standard CAS: 2417-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2417-17-6
Multi CAS
No
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
SMILES
CN1C(=O)C=CN=C1N
InChI
InChI=1S/C5H7N3O/c1-8-4(9)2-3-7-5(8)6/h2-3H,1H3,(H2,6,7)
InChIKey
GFSXUEPGKWYEHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
33.89
TPSA
60.91

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.57
XLogP3
-1.1
Consensus LogP
-0.77
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.94

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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