CAS RN: 388582-41-0
4-AMINO-6-HYDROXY-2-METHYLPYRIMIDINE DIHYDRATE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS388582-41-0
- Purity/Analytical Methods: >99.0%
388582-41-0 / 4-amino-2-methyl-1H-pyrimidin-6-one;dihydrate
Basic Information
CAS
388582-41-0
Multi CAS
Yes
Molecular Formula
C5H11N3O3
Molecular Weight
161.160000
Exact Mass
161.080041
InChI
InChI=1S/C5H7N3O.2H2O/c1-3-7-4(6)2-5(9)8-3;;/h2H,1H3,(H3,6,7,8,9);2*1H2
InChIKey
QJZWHXSXVBZLJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.23
TPSA
134.77
LogP / Solubility
WLOGP
-1.99
MLOGP
-1.75
XLogP3
-1.99
Consensus LogP
-1.91
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.55
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.94
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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