CAS RN: 17148-48-0

2-ETHOXY-5-FLUOROPYRIMIDINE

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  • Product code: starshine_CAS17148-48-0
  • Purity/Analytical Methods: >99.0%
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17148-48-0 / 2-ethoxy-5-fluoropyrimidine

Standard CAS: 17148-48-0 Multi CAS: No

Basic Information

CAS
17148-48-0
Multi CAS
No
Molecular Formula
C6H7FN2O
Molecular Weight
142.130000
Exact Mass
142.054241
SMILES
CCOC1=NC=C(C=N1)F
InChI
InChI=1S/C6H7FN2O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3
InChIKey
DYBCJJAIMCCRDM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.16
TPSA
35.01

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.87

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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