[email protected]
CAS 1637781-10-2 2-amino-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one molecular structure lightbox
CAS RN: 1637781-10-2

2-amino-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1637781-10-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1637781-10-2 / 2-amino-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

Standard CAS: 1637781-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1637781-10-2
Multi CAS
No
Molecular Formula
C13H15BrN4O
Molecular Weight
323.190000
Exact Mass
322.042920
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)N)C3CCCC3)Br
InChI
InChI=1S/C13H15BrN4O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H2,15,16,17)
InChIKey
DYMXUYXLSNTDDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
78.15
TPSA
73.8

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us