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CAS 1210-66-8 6-ANILINOPURINE molecular structure lightbox
CAS RN: 1210-66-8

6-ANILINOPURINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 2.5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1210-66-8
  • Purity/Analytical Methods: >99.0%
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1210-66-8 / N-phenyl-7H-purin-6-amine

N-phenyl-9H-purin-6-amine | N-Purin-6-ylaniline | 6-Phenylaminopurine

Standard CAS: 1210-66-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1210-66-8
Multi CAS
Yes
Molecular Formula
C11H9N5
Molecular Weight
211.220000
Exact Mass
211.085795
SMILES
C1=CC=C(C=C1)NC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C11H9N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H2,12,13,14,15,16)
InChIKey
WCZNSRQVTJYMRQ-UHFFFAOYSA-N
Synonyms
N-phenyl-9H-purin-6-amine N-Purin-6-ylaniline 6-Phenylaminopurine EINECS 214-914-4 DTXSID40153105

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.41
TPSA
66.49

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
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
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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