[email protected]
CAS 1353974-36-3 4-[(6-CyclopropylaMino-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1353974-36-3

4-[(6-CyclopropylaMino-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353974-36-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1353974-36-3 / tert-butyl 4-[[6-(cyclopropylamino)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate

Standard CAS: 1353974-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353974-36-3
Multi CAS
No
Molecular Formula
C18H29N5O2
Molecular Weight
347.500000
Exact Mass
347.232125
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=NC=NC(=C2)NC3CC3
InChI
InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)23-9-7-14(8-10-23)22(4)16-11-15(19-12-20-16)21-13-5-6-13/h11-14H,5-10H2,1-4H3,(H,19,20,21)
InChIKey
QTUVXWGTONGJEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.91
TPSA
70.59

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us