CAS RN: 1146080-66-1
1-(6-CyclopropylaMino-pyriMidin-4-yl)-piperidin-4-ol, 98+% C12H18N4O, MW: 234.30
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-66-1
- Purity/Analytical Methods: >99.0%
1146080-66-1 / 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-ol
1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidin-4-ol | 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-ol | 1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-4-ol
Basic Information
CAS
1146080-66-1
Multi CAS
No
Molecular Formula
C12H18N4O
Molecular Weight
234.300000
Exact Mass
234.148061
SMILES
C1CC1NC2=CC(=NC=N2)N3CCC(CC3)O
InChI
InChI=1S/C12H18N4O/c17-10-3-5-16(6-4-10)12-7-11(13-8-14-12)15-9-1-2-9/h7-10,17H,1-6H2,(H,13,14,15)
InChIKey
WJDYJAQMQWKTBJ-UHFFFAOYSA-N
Synonyms
1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidin-4-ol
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-ol
1-(6-Cyclopropylamino-pyrimidin-4-yl)-piperidin-4-ol
4-Piperidinol, 1-[6-(cyclopropylamino)-4-pyrimidinyl]-
DTXSID50671608
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.13
TPSA
61.28
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1.4
Consensus LogP
1.1
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.43
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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