CAS RN: 197571-63-4
4,6-Diaminopyrimidin-2(1H)-one hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250909 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS197571-63-4
- Purity/Analytical Methods: >99.0%
197571-63-4 / 4,6-diamino-1H-pyrimidin-2-one;hydrochloride
Basic Information
CAS
197571-63-4
Multi CAS
No
Molecular Formula
C4H7ClN4O
Molecular Weight
162.580000
Exact Mass
162.030839
SMILES
C1=C(NC(=O)N=C1N)N.Cl
InChI
InChI=1S/C4H6N4O.ClH/c5-2-1-3(6)8-4(9)7-2;/h1H,(H5,5,6,7,8,9);1H
InChIKey
TXBVUUVTADEGKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
40.93
TPSA
97.79
LogP / Solubility
WLOGP
-0.64
MLOGP
-0.57
XLogP3
-0.64
Consensus LogP
-0.62
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.18
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.17
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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