![CAS 1246471-35-1 5-Boc-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246471-35-1.gif)
CAS RN: 1246471-35-1
5-Boc-2-(dimethylamino)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidine
- Product code: SSC-028669
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 0.1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1246471-35-1 / tert-butyl 2-(dimethylamino)-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylate
Basic Information
CAS
1246471-35-1
Multi CAS
No
Molecular Formula
C14H22N4O2
Molecular Weight
278.350000
Exact Mass
278.174276
SMILES
CC(C)(C)OC(=O)N1CCCC2=NC(=NC=C21)N(C)C
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-7-10-11(18)9-15-12(16-10)17(4)5/h9H,6-8H2,1-5H3
InChIKey
HYNIRPKNJWNMRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
78.26
TPSA
58.56
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
1.8
Consensus LogP
2
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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