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CAS 1353954-31-0 “(6-Methoxy-pyriMidin-4-yl)-piperidin-3-yl-aMinehydrochloride” molecular structure lightbox
CAS RN: 1353954-31-0

“(6-Methoxy-pyriMidin-4-yl)-piperidin-3-yl-aMinehydrochloride”

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353954-31-0
  • Purity/Analytical Methods: >99.0%
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1353954-31-0 / 6-methoxy-N-piperidin-3-ylpyrimidin-4-amine;hydrochloride

Standard CAS: 1353954-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353954-31-0
Multi CAS
No
Molecular Formula
C10H17ClN4O
Molecular Weight
244.720000
Exact Mass
244.109089
SMILES
COC1=NC=NC(=C1)NC2CCCNC2.Cl
InChI
InChI=1S/C10H16N4O.ClH/c1-15-10-5-9(12-7-13-10)14-8-3-2-4-11-6-8;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14);1H
InChIKey
AZVUKRQDKRLYMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.35
TPSA
59.07

LogP / Solubility

WLOGP
1.07
MLOGP
0.95
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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
2

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