![CAS 26979-05-5 Pyrimido[4,5-d]pyrimidin-4-amine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26979-05-5.gif)
CAS RN: 26979-05-5
Pyrimido[4,5-d]pyrimidin-4-amine (9CI)
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-125490
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 5g, 1g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
26979-05-5 / pyrimido[4,5-d]pyrimidin-4-amine
Basic Information
CAS
26979-05-5
Multi CAS
No
Molecular Formula
C6H5N5
Molecular Weight
147.140000
Exact Mass
147.054495
SMILES
C1=C2C(=NC=NC2=NC=N1)N
InChI
InChI=1S/C6H5N5/c7-5-4-1-8-2-10-6(4)11-3-9-5/h1-3H,(H2,7,8,9,10,11)
InChIKey
PSYGVOQINLFTHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
5
H-bond donors
1
Molar refractivity
39.54
TPSA
77.58
LogP / Solubility
XLogP3
-0.2
Consensus LogP
-0.07
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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