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CAS 1955-61-9 6-Methyl-quinazoline-2,4-diamine molecular structure lightbox
CAS RN: 1955-61-9

6-Methyl-quinazoline-2,4-diamine

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Batchno.20260501 500mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1955-61-9
  • Purity/Analytical Methods: >99.0%
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1955-61-9 / 6-methylquinazoline-2,4-diamine

Standard CAS: 1955-61-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1955-61-9
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
CC1=CC2=C(C=C1)N=C(N=C2N)N
InChI
InChI=1S/C9H10N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h2-4H,1H3,(H4,10,11,12,13)
InChIKey
LSNYLNXZYSKOGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.1
TPSA
77.82

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.4
Consensus LogP
1.16
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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