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, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1094246-40-8 / 2-pyridin-2-ylpyrimidin-5-amine
5-Amino-2-(2-pyridyl)pyrimidine | 2-pyridin-2-ylpyrimidin-5-amine | MFCD11180855
Basic Information
CAS
1094246-40-8
Multi CAS
No
Molecular Formula
C9H8N4
Molecular Weight
172.190000
Exact Mass
172.074896
SMILES
C1=CC=NC(=C1)C2=NC=C(C=N2)N
InChI
InChI=1S/C9H8N4/c10-7-5-12-9(13-6-7)8-3-1-2-4-11-8/h1-6H,10H2
InChIKey
OAQCLXCUGKEGBI-UHFFFAOYSA-N
Synonyms
5-Amino-2-(2-pyridyl)pyrimidine
2-pyridin-2-ylpyrimidin-5-amine
MFCD11180855
2-(PYRIDIN-2-YL)PYRIMIDIN-5-AMINE
2-(2-pyridyl)pyrimidin-5-amine
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.68
TPSA
64.69
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
0.1
Consensus LogP
0.73
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-2.97
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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