![CAS 218955-04-5 2-Methylpyrido[4,3-d]pyriMidin-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/218955-04-5.gif)
CAS RN: 218955-04-5
2-Methylpyrido[4,3-d]pyriMidin-4-ol
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.20260312 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS218955-04-5
- Purity/Analytical Methods: >99.0%
218955-04-5 / 2-methyl-3H-pyrido[4,3-d]pyrimidin-4-one
Basic Information
CAS
218955-04-5
Multi CAS
No
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
SMILES
CC1=NC2=C(C=NC=C2)C(=O)N1
InChI
InChI=1S/C8H7N3O/c1-5-10-7-2-3-9-4-6(7)8(12)11-5/h2-4H,1H3,(H,10,11,12)
InChIKey
QFIRLJWKTODOBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.9
TPSA
58.64
LogP / Solubility
WLOGP
0.63
MLOGP
0.55
XLogP3
-0.4
Consensus LogP
0.26
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.26
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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