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CAS 1511328-20-3 1-(2-Ethylpyrimidin-5-yl)ethanone molecular structure lightbox
CAS RN: 1511328-20-3

1-(2-Ethylpyrimidin-5-yl)ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1511328-20-3
  • Purity/Analytical Methods: >99.0%
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1511328-20-3 / 1-(2-ethylpyrimidin-5-yl)ethanone

Standard CAS: 1511328-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1511328-20-3
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
CCC1=NC=C(C=N1)C(=O)C
InChI
InChI=1S/C8H10N2O/c1-3-8-9-4-7(5-10-8)6(2)11/h4-5H,3H2,1-2H3
InChIKey
RQEKUSNITMXKIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.41
TPSA
42.85

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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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