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CAS 15755-15-4 4-METHYL-6-PHENYLPYRIMIDIN-2-AMINE molecular structure lightbox
CAS RN: 15755-15-4

4-METHYL-6-PHENYLPYRIMIDIN-2-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260407 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS15755-15-4
  • Purity/Analytical Methods: >99.0%
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15755-15-4 / 4-methyl-6-phenylpyrimidin-2-amine

Standard CAS: 15755-15-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15755-15-4
Multi CAS
No
Molecular Formula
C11H11N3
Molecular Weight
185.220000
Exact Mass
185.095297
SMILES
CC1=CC(=NC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3/c1-8-7-10(14-11(12)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14)
InChIKey
ZWHPURVKWJBWEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.62
TPSA
51.8

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
Class (SILICOS-IT)
Moderately 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)
-2.41

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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