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CAS 1008505-37-0 6-(pyridin-4-yl)quinazolin-2-amine molecular structure lightbox
CAS RN: 1008505-37-0

6-(pyridin-4-yl)quinazolin-2-amine

  • Product code: SSC-001579
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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: 1g
  • 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 1008505-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1008505-37-0 / 6-pyridin-4-ylquinazolin-2-amine

6-(pyridin-4-yl)quinazolin-2-amine | 6-pyridin-4-ylquinazolin-2-amine | 6-Pyridin-4-yl-quinazolin-2-ylamine

Standard CAS: 1008505-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1008505-37-0
Multi CAS
No
Molecular Formula
C13H10N4
Molecular Weight
222.240000
Exact Mass
222.090546
SMILES
C1=CC2=NC(=NC=C2C=C1C3=CC=NC=C3)N
InChI
InChI=1S/C13H10N4/c14-13-16-8-11-7-10(1-2-12(11)17-13)9-3-5-15-6-4-9/h1-8H,(H2,14,16,17)
InChIKey
XDULIFZWNIEGCE-UHFFFAOYSA-N
Synonyms
6-(pyridin-4-yl)quinazolin-2-amine 6-pyridin-4-ylquinazolin-2-amine 6-Pyridin-4-yl-quinazolin-2-ylamine 6-(4-PYRIDINYL)-2-QUINAZOLINAMINE MFCD12828217

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.18
TPSA
64.69

LogP / Solubility

WLOGP
2.27
MLOGP
2
XLogP3
1.7
Consensus LogP
1.99
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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