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CAS 1329748-51-7 1-(2-methylpyrimidin-4-yl)piperidin-4-amine molecular structure lightbox
CAS RN: 1329748-51-7

1-(2-methylpyrimidin-4-yl)piperidin-4-amine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1329748-51-7
  • Purity/Analytical Methods: >99.0%
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1329748-51-7 / 1-(2-methylpyrimidin-4-yl)piperidin-4-amine

Standard CAS: 1329748-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1329748-51-7
Multi CAS
No
Molecular Formula
C10H16N4
Molecular Weight
192.260000
Exact Mass
192.137497
SMILES
CC1=NC=CC(=N1)N2CCC(CC2)N
InChI
InChI=1S/C10H16N4/c1-8-12-5-2-10(13-8)14-6-3-9(11)4-7-14/h2,5,9H,3-4,6-7,11H2,1H3
InChIKey
UXJXGDDZKLKKEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.19
TPSA
55.04

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.7
Consensus LogP
0.68
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.39

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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