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CAS 89792-20-1 6-methyl-1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione molecular structure lightbox
CAS RN: 89792-20-1

6-methyl-1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS89792-20-1
  • Purity/Analytical Methods: >99.0%
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89792-20-1 / 6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione

Standard CAS: 89792-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89792-20-1
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
InChI
InChI=1S/C7H7N3O2/c1-3-2-4-5(8-3)9-7(12)10-6(4)11/h2H,1H3,(H3,8,9,10,11,12)
InChIKey
IQCLFDMUFKXFFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
3
Molar refractivity
44.28
TPSA
81.51

LogP / Solubility

WLOGP
-0.15
MLOGP
-0.13
Consensus LogP
-0.09
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.83

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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