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CAS 1189922-32-4 N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-D3-PROPYLENEDIAMINE molecular structure lightbox
CAS RN: 1189922-32-4

N-(4-AMINO-6,7-DIMETHOXYQUINAZOL-2-YL)-N-METHYL-D3-PROPYLENEDIAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1189922-32-4
  • Purity/Analytical Methods: >99.0%
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1189922-32-4 / 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine

N-(4-Amino-6,7-dimethoxyquinazol-2-yl)-N-methyl-d3-propylenediamine | 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine | N2-(3-Aminopropyl)-6,7-dimethoxy-N2-methyl-2,4-quinazolinediamine-d3

Standard CAS: 1189922-32-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1189922-32-4
Multi CAS
Yes
Molecular Formula
C14H21N5O2
Molecular Weight
294.370000
Exact Mass
294.188355
SMILES
[2H]C([2H])([2H])N(CCCN)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC
InChI
InChI=1S/C14H21N5O2/c1-19(6-4-5-15)14-17-10-8-12(21-3)11(20-2)7-9(10)13(16)18-14/h7-8H,4-6,15H2,1-3H3,(H2,16,17,18)/i1D3
InChIKey
HVTJQTPDNHTWGI-FIBGUPNXSA-N
Synonyms
N-(4-Amino-6,7-dimethoxyquinazol-2-yl)-N-methyl-d3-propylenediamine 2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine N2-(3-Aminopropyl)-6,7-dimethoxy-N2-methyl-2,4-quinazolinediamine-d3 DTXSID40675574 N~2~-(3-Aminopropyl)-6,7-dimethoxy-N~2~-(~2~H_3_)methylquinazoline-2,4-diamine

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
84
TPSA
99.52

LogP / Solubility

WLOGP
1.01
MLOGP
0.9
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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