[email protected]
CAS 1365937-63-8 N-[(3R)-Pyrrolidin-3-yl]pyridin-2-amine dihydrochloride molecular structure lightbox
CAS RN: 1365937-63-8

N-[(3R)-Pyrrolidin-3-yl]pyridin-2-amine dihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1365937-63-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1365937-63-8 / tert-butyl (3R)-3-(quinazolin-4-ylamino)pyrrolidine-1-carboxylate

Standard CAS: 1365937-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1365937-63-8
Multi CAS
No
Molecular Formula
C17H22N4O2
Molecular Weight
314.400000
Exact Mass
314.174276
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)NC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-9-8-12(10-21)20-15-13-6-4-5-7-14(13)18-11-19-15/h4-7,11-12H,8-10H2,1-3H3,(H,18,19,20)/t12-/m1/s1
InChIKey
FYMPGBPHCBIAAO-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
89.37
TPSA
67.35

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us