CAS RN: 2010958-16-2
5-Methylpyrimidine-4,6-dicarboxylic acid
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.20250909 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2010958-16-2
- Purity/Analytical Methods: >99.0%
2010958-16-2 / 5-methylpyrimidine-4,6-dicarboxylic acid
Basic Information
CAS
2010958-16-2
Multi CAS
No
Molecular Formula
C7H6N2O4
Molecular Weight
182.130000
Exact Mass
182.032757
SMILES
CC1=C(N=CN=C1C(=O)O)C(=O)O
InChI
InChI=1S/C7H6N2O4/c1-3-4(6(10)11)8-2-9-5(3)7(12)13/h2H,1H3,(H,10,11)(H,12,13)
InChIKey
YMLNPSXGIDFHPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.69
TPSA
100.38
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.3
Consensus LogP
0.21
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-3.7
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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