![CAS 89792-11-0 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-2-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89792-11-0.gif)
CAS RN: 89792-11-0
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-2-methyl- (9CI)
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS89792-11-0
- Purity/Analytical Methods: >99.0%
89792-11-0 / 2-methyl-3,7a-dihydropyrrolo[2,3-d]pyrimidin-4-one
Basic Information
CAS
89792-11-0
Multi CAS
Yes
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
InChI
InChI=1S/C7H7N3O/c1-4-9-6-5(2-3-8-6)7(11)10-4/h2-3H,1H3,(H2,8,9,10,11)
InChIKey
ZFUQHMCXUYLASE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.61
TPSA
53.82
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.12
XLogP3
-1.3
Consensus LogP
-0.52
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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