[email protected]
CAS 1353989-79-3 4-(6-CyclopropylaMino-2-Methylsulfanyl-pyriMidin-4-ylaMino)-piperidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1353989-79-3

4-(6-CyclopropylaMino-2-Methylsulfanyl-pyriMidin-4-ylaMino)-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.20250424 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1353989-79-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1353989-79-3 / tert-butyl 4-[[6-(cyclopropylamino)-2-methylsulfanylpyrimidin-4-yl]amino]piperidine-1-carboxylate

Standard CAS: 1353989-79-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353989-79-3
Multi CAS
No
Molecular Formula
C18H29N5O2S
Molecular Weight
379.500000
Exact Mass
379.204196
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC(=NC(=C2)NC3CC3)SC
InChI
InChI=1S/C18H29N5O2S/c1-18(2,3)25-17(24)23-9-7-13(8-10-23)20-15-11-14(19-12-5-6-12)21-16(22-15)26-4/h11-13H,5-10H2,1-4H3,(H2,19,20,21,22)
InChIKey
AZFYJGIWSVCDCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
104.91
TPSA
79.38

LogP / Solubility

WLOGP
3.58
MLOGP
3.18
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us