![CAS 1640971-60-3 (3R,4R)-3-[(6-amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-Piperidinepropanenitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640971-60-3.gif)
CAS RN: 1640971-60-3
(3R,4R)-3-[(6-amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-Piperidinepropanenitrile
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.20250211 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1640971-60-3
- Purity/Analytical Methods: >99.0%
1640971-60-3 / 3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
Basic Information
CAS
1640971-60-3
Multi CAS
No
Molecular Formula
C14H20N6O
Molecular Weight
288.350000
Exact Mass
288.169859
SMILES
C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC(=C2)N)C(=O)CC#N
InChI
InChI=1S/C14H20N6O/c1-10-4-6-20(14(21)3-5-15)8-11(10)19(2)13-7-12(16)17-9-18-13/h7,9-11H,3-4,6,8H2,1-2H3,(H2,16,17,18)/t10-,11+/m1/s1
InChIKey
ZLDFVEOEPGYRPF-MNOVXSKESA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.23
TPSA
99.14
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
XLogP3
0.7
Consensus LogP
0.64
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1640978-33-1 2,6-bis[4-(diphenylamino)phenyl]- 9,10-Anthracenedione molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2,6-bis[4-(diphenylamino)phenyl]- 9,10-Anthracenedione
- CAS RN: 1640978-33-1
- Product Code: starshine_CAS1640978-33-1
- Purity/Analytical method: >99.0%
-
Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)-
- CAS RN: 1640981-02-7
- Product Code: SSC-071618
-
1-benzyl-4-hydroxy-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid
- CAS RN: 1640981-19-6
- Product Code: SSC-071620
-
1H-Benzimidazole-6-carboxamide, 4-hydroxy-N,N,2-trimethyl-1-(phenylmethyl)-
- CAS RN: 1640981-20-9
- Product Code: SSC-071621
-
-
1,3,2-Dioxaborolane, 2-[3-(difluoromethoxy)-5-fluorophenyl]-4,4,5,5-tetramethyl-
- CAS RN: 1641578-50-8
- Product Code: starshine_CAS1641578-50-8
- Purity/Analytical method: >99.0%
![CAS 1640978-33-1 2,6-bis[4-(diphenylamino)phenyl]- 9,10-Anthracenedione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640978-33-1.gif)
![CAS 1640981-02-7 Butanedioic acid, 2-[[2-methyl-1-(phenylmethyl)-1H-imidazol-5-yl]methylene]-, 1-ethyl ester, (2E)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640981-02-7.gif)
![CAS 1640981-19-6 1-benzyl-4-hydroxy-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1640981-19-6.gif)
![CAS 1641578-50-8 1,3,2-Dioxaborolane, 2-[3-(difluoromethoxy)-5-fluorophenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1641578-50-8.gif)