![CAS 1913-72-0 5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1913-72-0.gif)
CAS RN: 1913-72-0
5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1913-72-0
- Purity/Analytical Methods: >99.0%
1913-72-0 / 5,7-dimethyl-3H-pyrido[2,3-d]pyrimidin-4-one
Basic Information
CAS
1913-72-0
Multi CAS
No
Molecular Formula
C9H9N3O
Molecular Weight
175.190000
Exact Mass
175.074562
SMILES
CC1=CC(=NC2=C1C(=O)NC=N2)C
InChI
InChI=1S/C9H9N3O/c1-5-3-6(2)12-8-7(5)9(13)11-4-10-8/h3-4H,1-2H3,(H,10,11,12,13)
InChIKey
HWGAGILTAOQBPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.63
TPSA
58.64
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.12
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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