CAS RN: 1122-67-4
4-Pyrimidinol, 6-(methylamino)- (6CI,7CI,8CI)
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.20250327 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1122-67-4
- Purity/Analytical Methods: >99.0%
1122-67-4 / 4-(methylamino)-1H-pyrimidin-6-one
6-(Methylamino)pyrimidin-4-ol | 6-(methylamino)pyrimidin-4(3H)-one | 6-(methylamino)-1H-pyrimidin-4-one
Basic Information
CAS
1122-67-4
Multi CAS
No
Molecular Formula
C5H7N3O
Molecular Weight
125.130000
Exact Mass
125.058912
SMILES
CNC1=CC(=O)NC=N1
InChI
InChI=1S/C5H7N3O/c1-6-4-2-5(9)8-3-7-4/h2-3H,1H3,(H2,6,7,8,9)
InChIKey
OMVCZENBLPMWSA-UHFFFAOYSA-N
Synonyms
6-(Methylamino)pyrimidin-4-ol
6-(methylamino)pyrimidin-4(3H)-one
6-(methylamino)-1H-pyrimidin-4-one
4-Pyrimidinol, 6-(methylamino)- (6CI,7CI,8CI)
6-(methylamino)-1,4-dihydropyrimidin-4-one
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.4
TPSA
57.78
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.5
Consensus LogP
-0.29
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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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- CAS RN: 1122-70-9
- Product Code: starshine_CAS1122-70-9
- Purity/Analytical method: >99.0%
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