CAS RN: 100643-25-2
4-Pyrimidinol, 2-amino- (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250804 | 100g | In stock | Shenzhen, Chengdu | Inquiry |
| Batchno.20250823 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20251017 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260507 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260604 | 5g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
- Product code: starshine_CAS100643-25-2
- Purity/Analytical Methods: >99.0%
100643-25-2 / 2-amino-1H-pyrimidin-6-one
Isocytosine | 2-aminopyrimidin-4-ol | 2-Amino-4-hydroxypyrimidine
Basic Information
CAS
100643-25-2
Multi CAS
Yes
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
SMILES
C1=CN=C(NC1=O)N
InChI
InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChIKey
XQCZBXHVTFVIFE-UHFFFAOYSA-N
Synonyms
Isocytosine
2-aminopyrimidin-4-ol
2-Amino-4-hydroxypyrimidine
2-Amino-4-pyrimdinol
2-Amino-4-pyrimidone
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.27
TPSA
71.77
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.58
XLogP3
-1
Consensus LogP
-0.74
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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![CAS 100644-65-3 4-CHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100644-65-3.gif)
![CAS 100644-66-4 4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100644-66-4.gif)
![CAS 100644-67-5 4-METHOXY-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/100644-67-5.gif)
