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CAS 62802-36-2 Pyrimidine, 2-fluoro-5-methyl- (9CI) molecular structure lightbox
CAS RN: 62802-36-2

Pyrimidine, 2-fluoro-5-methyl- (9CI)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS62802-36-2
  • Purity/Analytical Methods: >99.0%
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62802-36-2 / 2-fluoro-5-methylpyrimidine

Standard CAS: 62802-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62802-36-2
Multi CAS
No
Molecular Formula
C5FH5N2
Molecular Weight
112.100000
Exact Mass
112.043676
InChI
InChI=1S/C5H5FN2/c1-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey
WLPVVMIDSRQUGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
26.73
TPSA
25.78

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.91
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-2.75

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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