CAS RN: 1056566-65-4

2-methyl-6-Quinazolinamine

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Batchno.20260604 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1056566-65-4
  • Purity/Analytical Methods: >99.0%
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1056566-65-4 / 2-methylquinazolin-6-amine

2-methylquinazolin-6-amine | MFCD20040472 | 6-amino-2-methylquinazolin

Standard CAS: 1056566-65-4 Multi CAS: No

Basic Information

CAS
1056566-65-4
Multi CAS
No
Molecular Formula
C9H9N3
Molecular Weight
159.190000
Exact Mass
159.079647
SMILES
CC1=NC=C2C=C(C=CC2=N1)N
InChI
InChI=1S/C9H9N3/c1-6-11-5-7-4-8(10)2-3-9(7)12-6/h2-5H,10H2,1H3
InChIKey
NLCQACQGFVUOAC-UHFFFAOYSA-N
Synonyms
2-methylquinazolin-6-amine MFCD20040472 6-amino-2-methylquinazolin SCHEMBL3481303 SCHEMBL31155594

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.69
TPSA
51.8

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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

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