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CAS 53135-22-1 5-Amino-2-methyl-4(1H)-pyrimidinone molecular structure lightbox
CAS RN: 53135-22-1

5-Amino-2-methyl-4(1H)-pyrimidinone

  • Product code: SSC-160336
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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 53135-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

53135-22-1 / 5-amino-2-methyl-1H-pyrimidin-6-one

Standard CAS: 53135-22-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53135-22-1
Multi CAS
Yes
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
InChI
InChI=1S/C5H7N3O/c1-3-7-2-4(6)5(9)8-3/h2H,6H2,1H3,(H,7,8,9)
InChIKey
AIFSFPXTFOBDNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.01
TPSA
71.77

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.31
XLogP3
-1.2
Consensus LogP
-0.62
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
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)
-3.72

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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