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CAS 1020150-22-4 4-aMino-N-(4-(2-aMino-6-MethylpyriMidin-4-ylaMino)phenyl)benzaMide molecular structure lightbox
CAS RN: 1020150-22-4

4-aMino-N-(4-(2-aMino-6-MethylpyriMidin-4-ylaMino)phenyl)benzaMide

  • Product code: SSC-003243
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1020150-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1020150-22-4 / 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide

4-Amino-N-(4-((2-amino-6-methylpyrimidin-4-yl)amino)phenyl)benzamide | CHEMBL3126654 | 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide

Standard CAS: 1020150-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020150-22-4
Multi CAS
No
Molecular Formula
C18H18N6O
Molecular Weight
334.400000
Exact Mass
334.154209
SMILES
CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H18N6O/c1-11-10-16(24-18(20)21-11)22-14-6-8-15(9-7-14)23-17(25)12-2-4-13(19)5-3-12/h2-10H,19H2,1H3,(H,23,25)(H3,20,21,22,24)
InChIKey
RJUDFXSDFVPVDV-UHFFFAOYSA-N
Synonyms
4-Amino-N-(4-((2-amino-6-methylpyrimidin-4-yl)amino)phenyl)benzamide CHEMBL3126654 4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide MFCD26127368 SCHEMBL12240376

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
99.71
TPSA
118.95

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.3
Consensus LogP
2.62
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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