[email protected]
CAS 105365-76-2 4-(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile molecular structure lightbox
CAS RN: 105365-76-2

4-(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS105365-76-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

105365-76-2 / 4-[(7-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]benzonitrile

RS-8359 | 79U9T1HIX9 | Benzonitrile, 4-((6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino)-

Standard CAS: 105365-76-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105365-76-2
Multi CAS
Yes
Molecular Formula
C14H12N4O
Molecular Weight
252.270000
Exact Mass
252.101111
SMILES
C1CC2=C(C1O)N=CN=C2NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18)
InChIKey
YKTSVZRWKHWINV-UHFFFAOYSA-N
Synonyms
RS-8359 79U9T1HIX9 Benzonitrile, 4-((6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino)- Benzonitrile, 4-[(6,7-dihydro-7-hydroxy-5H-cyclopentapyrimidin-4-yl)amino]- RefChem:1069664

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.75
TPSA
81.83

LogP / Solubility

WLOGP
2.07
MLOGP
1.83
XLogP3
1.4
Consensus LogP
1.77
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us