CAS RN: 151091-68-8
2(1H)-Pyrimidinone, 4-amino-5-(1-propynyl)- (9CI)
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.20250726 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS151091-68-8
- Purity/Analytical Methods: >99.0%
151091-68-8 / 6-amino-5-prop-1-ynyl-1H-pyrimidin-2-one
Basic Information
CAS
151091-68-8
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
CC#CC1=C(NC(=O)N=C1)N
InChI
InChI=1S/C7H7N3O/c1-2-3-5-4-9-7(11)10-6(5)8/h4H,1H3,(H3,8,9,10,11)
InChIKey
QNNARSZPGNJZIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.82
TPSA
71.77
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.4
Consensus LogP
-0.31
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 151096-96-7 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
- CAS RN: 151096-96-7
- Product Code: SSC-060969
-
4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane
- CAS RN: 151096-97-8
- Product Code: starshine_CAS151096-97-8
- Purity/Analytical method: >99.0%
-
1,4,9-Triazaspiro[5.5]undecane,1,4-dimethyl-(9CI)
- CAS RN: 151097-18-6
- Product Code: SSC-060971
-
-
“ethyl 5-(pyridin-4-yl)-1,2,4-oxadiazole-3-carboxylate”
- CAS RN: 151097-45-9
- Product Code: SSC-060973
-
ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
- CAS RN: 151098-14-5
- Product Code: SSC-060975
![CAS 151096-96-7 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/151096-96-7.gif)
![CAS 151096-97-8 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/151096-97-8.gif)
![CAS 151097-18-6 1,4,9-Triazaspiro[5.5]undecane,1,4-dimethyl-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/151097-18-6.gif)
