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CAS 1354000-08-0 6-((S)-Pyrrolidin-3-yloxy)-pyriMidin-4-ylaMine hydrochloride molecular structure lightbox
CAS RN: 1354000-08-0

6-((S)-Pyrrolidin-3-yloxy)-pyriMidin-4-ylaMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354000-08-0
  • Purity/Analytical Methods: >99.0%
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1354000-08-0 / 6-[(3S)-pyrrolidin-3-yl]oxypyrimidin-4-amine;hydrochloride

Standard CAS: 1354000-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354000-08-0
Multi CAS
No
Molecular Formula
C8H13ClN4O
Molecular Weight
216.670000
Exact Mass
216.077789
SMILES
C1CNC[C@H]1OC2=NC=NC(=C2)N.Cl
InChI
InChI=1S/C8H12N4O.ClH/c9-7-3-8(12-5-11-7)13-6-1-2-10-4-6;/h3,5-6,10H,1-2,4H2,(H2,9,11,12);1H/t6-;/m0./s1
InChIKey
QKTXNEVBNRLJCH-RGMNGODLSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
55.6
TPSA
73.06

LogP / Solubility

WLOGP
0.22
MLOGP
0.2
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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