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CAS 1353974-11-4 1-(6-CyclopropylaMino-pyriMidin-4-yl)-pyrrolidin-3-ol molecular structure lightbox
CAS RN: 1353974-11-4

1-(6-CyclopropylaMino-pyriMidin-4-yl)-pyrrolidin-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353974-11-4
  • Purity/Analytical Methods: >99.0%
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1353974-11-4 / 1-[6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol

Standard CAS: 1353974-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353974-11-4
Multi CAS
No
Molecular Formula
C11H16N4O
Molecular Weight
220.270000
Exact Mass
220.132411
SMILES
C1CC1NC2=CC(=NC=N2)N3CCC(C3)O
InChI
InChI=1S/C11H16N4O/c16-9-3-4-15(6-9)11-5-10(12-7-13-11)14-8-1-2-8/h5,7-9,16H,1-4,6H2,(H,12,13,14)
InChIKey
RSCOEXKLGSJKCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
61.51
TPSA
61.28

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
1
Consensus LogP
0.72
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-3.62

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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