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CAS 17758-07-5 Pyrimidine, 2-methoxy-5-methyl- (8CI,9CI) molecular structure lightbox
CAS RN: 17758-07-5

Pyrimidine, 2-methoxy-5-methyl- (8CI,9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS17758-07-5
  • Purity/Analytical Methods: >99.0%
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17758-07-5 / 2-methoxy-5-methylpyrimidine

Standard CAS: 17758-07-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17758-07-5
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
CC1=CN=C(N=C1)OC
InChI
InChI=1S/C6H8N2O/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
InChIKey
BCJLWYKGUBGKFP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
33.32
TPSA
35.01

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-2.91

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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