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CAS 134277-54-6 2-AMINO-6-ETHYL-5-METHYLPYRIMIDIN-4-OL molecular structure lightbox
CAS RN: 134277-54-6

2-AMINO-6-ETHYL-5-METHYLPYRIMIDIN-4-OL

  • Product code: SSC-041819
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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 134277-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

134277-54-6 / 2-amino-4-ethyl-5-methyl-1H-pyrimidin-6-one

Standard CAS: 134277-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134277-54-6
Multi CAS
No
Molecular Formula
C7H11N3O
Molecular Weight
153.180000
Exact Mass
153.090212
SMILES
CCC1=C(C(=O)NC(=N1)N)C
InChI
InChI=1S/C7H11N3O/c1-3-5-4(2)6(11)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,11)
InChIKey
OWHWLTIBGSRUMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.39
TPSA
71.77

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
-0.1
Consensus LogP
0.1
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.5

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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