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CAS 204394-52-5 4,5-Dimethyl-6-hydroxy-2-(pyridin-2-yl)pyrimidine, 2-(4,5-Dimethyl-6-hydroxypyrimidin-2-yl)pyridine molecular structure lightbox
CAS RN: 204394-52-5

4,5-Dimethyl-6-hydroxy-2-(pyridin-2-yl)pyrimidine, 2-(4,5-Dimethyl-6-hydroxypyrimidin-2-yl)pyridine

  • Product code: SSC-096157
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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 204394-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

204394-52-5 / 4,5-dimethyl-2-pyridin-2-yl-1H-pyrimidin-6-one

Standard CAS: 204394-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204394-52-5
Multi CAS
No
Molecular Formula
C11H11N3O
Molecular Weight
201.220000
Exact Mass
201.090212
SMILES
CC1=C(N=C(NC1=O)C2=CC=CC=N2)C
InChI
InChI=1S/C11H11N3O/c1-7-8(2)13-10(14-11(7)15)9-5-3-4-6-12-9/h3-6H,1-2H3,(H,13,14,15)
InChIKey
RVSHHTOLEDONMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.56
TPSA
58.64

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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