CAS RN: 933702-51-3

2,4-dimethylpyrimidine-5-carbaldehyde

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Batchno.20260512 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS933702-51-3
  • Purity/Analytical Methods: >99.0%
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933702-51-3 / 2,4-dimethylpyrimidine-5-carbaldehyde

Standard CAS: 933702-51-3 Multi CAS: No

Basic Information

CAS
933702-51-3
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c1-5-7(4-10)3-8-6(2)9-5/h3-4H,1-2H3
InChIKey
CXHZFYWWPZMSGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.89
TPSA
42.85

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-2.91

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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