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CAS 1086382-17-3 4-Bromo-6-cyclopentylpyrimidine molecular structure lightbox
CAS RN: 1086382-17-3

4-Bromo-6-cyclopentylpyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1086382-17-3
  • Purity/Analytical Methods: >99.0%
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1086382-17-3 / 4-bromo-6-cyclopentylpyrimidine

4-bromo-6-cyclopentylpyrimidine | Pyrimidine, 4-bromo-6-cyclopentyl- | 4-bromo-6-cyclopentyl-pyrimidine

Standard CAS: 1086382-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086382-17-3
Multi CAS
No
Molecular Formula
C9H11BrN2
Molecular Weight
227.100000
Exact Mass
226.010560
SMILES
C1CCC(C1)C2=CC(=NC=N2)Br
InChI
InChI=1S/C9H11BrN2/c10-9-5-8(11-6-12-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKey
RETYUZZLTZTKID-UHFFFAOYSA-N
Synonyms
4-bromo-6-cyclopentylpyrimidine Pyrimidine, 4-bromo-6-cyclopentyl- 4-bromo-6-cyclopentyl-pyrimidine DTXSID101297853 AKOS015942866

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.94
TPSA
25.78

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly 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)
-2.05

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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