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CAS 1221153-78-1 4-(1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyriMidin-2-aMine molecular structure lightbox
CAS RN: 1221153-78-1

4-(1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyriMidin-2-aMine

  • Product code: SSC-025034
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 5g, 0.1g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1221153-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1221153-78-1 / 4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

Standard CAS: 1221153-78-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1221153-78-1
Multi CAS
No
Molecular Formula
C14H15N5
Molecular Weight
253.300000
Exact Mass
253.132746
SMILES
CC(C)N1C=C(C2=C1C=NC=C2)C3=NC(=NC=C3)N
InChI
InChI=1S/C14H15N5/c1-9(2)19-8-11(10-3-5-16-7-13(10)19)12-4-6-17-14(15)18-12/h3-9H,1-2H3,(H2,15,17,18)
InChIKey
UCZZBTZALZVWDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.56
TPSA
69.62

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
1.2
Consensus LogP
2.07
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

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

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