CAS RN: 73-66-5

5-ethoxymethyl-2-methylpyrimidin-4-ylamine

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  • Product code: starshine_CAS73-66-5
  • Purity/Analytical Methods: >99.0%
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73-66-5 / 5-(ethoxymethyl)-2-methylpyrimidin-4-amine

Standard CAS: 73-66-5 Multi CAS: Yes

Basic Information

CAS
73-66-5
Multi CAS
Yes
Molecular Formula
C8H13N3O
Molecular Weight
167.210000
Exact Mass
167.105862
InChI
InChI=1S/C8H13N3O/c1-3-12-5-7-4-10-6(2)11-8(7)9/h4H,3,5H2,1-2H3,(H2,9,10,11)
InChIKey
KEYFHYRXUHGMLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.51
TPSA
61.03

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.3
Consensus LogP
0.66
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.1

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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