CAS RN: 893755-94-7

1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-ol

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  • Product code: starshine_CAS893755-94-7
  • Purity/Analytical Methods: >99.0%
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893755-94-7 / 1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-ol

Standard CAS: 893755-94-7 Multi CAS: No

Basic Information

CAS
893755-94-7
Multi CAS
No
Molecular Formula
C11H17N3O
Molecular Weight
207.270000
Exact Mass
207.137162
InChI
InChI=1S/C11H17N3O/c1-8-7-9(2)13-11(12-8)14-5-3-10(15)4-6-14/h7,10,15H,3-6H2,1-2H3
InChIKey
JFVVUTHALOPGMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.96
TPSA
49.25

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
1.3
Consensus LogP
1.09
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
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)
-3.24

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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