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CAS RN: 30201-72-0
2-AMINO-5-ETHYL-PYRIMIDINE-4,6-DIOL
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS30201-72-0
- Purity/Analytical Methods: >99.0%
30201-72-0 / 2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
Basic Information
CAS
30201-72-0
Multi CAS
Yes
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
InChI
InChI=1S/C6H9N3O2/c1-2-3-4(10)8-6(7)9-5(3)11/h2H2,1H3,(H4,7,8,9,10,11)
InChIKey
GJIYTJHETGATKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
40.31
TPSA
92
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.6
Consensus LogP
-0.44
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.47
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
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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- CAS RN: 30216-51-4
- Product Code: starshine_CAS30216-51-4
- Purity/Analytical method: >99.0%
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