![CAS 1630026-11-7 tert-butyl N-[(6-chloropyrimidin-4-yl)methyl]-N-methyl-carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/1630026-11-7.png)
CAS RN: 1630026-11-7
tert-butyl N-[(6-chloropyrimidin-4-yl)methyl]-N-methyl-carbamate
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.20260616 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
1630026-11-7 / tert-butyl N-[(6-chloropyrimidin-4-yl)methyl]-N-methylcarbamate
tert-Butyl ((6-chloropyrimidin-4-yl)methyl)(methyl)carbamate | tert-butyl N-[(6-chloropyrimidin-4-yl)methyl]-N-methyl-carbamate | SCHEMBL17585908
Basic Information
CAS
1630026-11-7
Multi CAS
No
Molecular Formula
C11H16CLN3O2
Molecular Weight
257.720000
Exact Mass
257.093105
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC(=NC=N1)Cl
InChI
InChI=1S/C11H16ClN3O2/c1-11(2,3)17-10(16)15(4)6-8-5-9(12)14-7-13-8/h5,7H,6H2,1-4H3
InChIKey
ZUXAZWZHFCGJAH-UHFFFAOYSA-N
Synonyms
tert-Butyl ((6-chloropyrimidin-4-yl)methyl)(methyl)carbamate
tert-butyl N-[(6-chloropyrimidin-4-yl)methyl]-N-methyl-carbamate
SCHEMBL17585908
MFCD28400808
SB59210
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.74
TPSA
55.32
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
1.9
Consensus LogP
2.2
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
4-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUORO-4”-METHYLBIPHENYL
- CAS RN: 163005-08-1
- Product Code: starshine_CAS163005-08-1
- Purity/Analytical method: >99.0%
-
2-Fluoro-4-(trans-4-pentylcyclohexyl)phenylboronic acid
- CAS RN: 163006-96-0
- Product Code: SSC-070544
-
-
2-Methyl-2,6-diaza-spiro[3.3]heptane dihydrochloride
- CAS RN: 1630082-57-3
- Product Code: SSC-070548
![CAS 1630082-57-3 2-Methyl-2,6-diaza-spiro[3.3]heptane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1630082-57-3.gif)