CAS RN: 18337-63-8
4(1H)-Pyrimidinone, 6-hydroxy-5-methyl- (8CI,9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250317 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18337-63-8
- Purity/Analytical Methods: >99.0%
18337-63-8 / 4-hydroxy-5-methyl-1H-pyrimidin-6-one
Basic Information
CAS
18337-63-8
Multi CAS
No
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
SMILES
CC1=C(N=CNC1=O)O
InChI
InChI=1S/C5H6N2O2/c1-3-4(8)6-2-7-5(3)9/h2H,1H3,(H2,6,7,8,9)
InChIKey
OREVOAMPEBWISR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.26
TPSA
65.98
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.5
Consensus LogP
-0.31
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very 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)
-3.64
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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