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CAS 1209459-32-4 4-(2-Bromopyrimidin-4-yl)morpholine molecular structure lightbox
CAS RN: 1209459-32-4

4-(2-Bromopyrimidin-4-yl)morpholine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1209459-32-4
  • Purity/Analytical Methods: >99.0%
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1209459-32-4 / 4-(2-bromopyrimidin-4-yl)morpholine

4-(2-BROMOPYRIMIDIN-4-YL)MORPHOLINE | MFCD14702752 | 4-(2-bromo-4-pyrimidinyl)Morpholine

Standard CAS: 1209459-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209459-32-4
Multi CAS
No
Molecular Formula
C8H10BrN3O
Molecular Weight
244.090000
Exact Mass
243.000720
SMILES
C1COCCN1C2=NC(=NC=C2)Br
InChI
InChI=1S/C8H10BrN3O/c9-8-10-2-1-7(11-8)12-3-5-13-6-4-12/h1-2H,3-6H2
InChIKey
UZDUPAKZNUTNNE-UHFFFAOYSA-N
Synonyms
4-(2-BROMOPYRIMIDIN-4-YL)MORPHOLINE MFCD14702752 4-(2-bromo-4-pyrimidinyl)Morpholine SCHEMBL21914804 SCHEMBL29790016

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.76
TPSA
38.25

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.3
Consensus LogP
1.11
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately 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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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