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CAS 1277179-33-5 2-Amino-4,6-dichloropyrimidine-5-carbonitrile molecular structure lightbox
CAS RN: 1277179-33-5

2-Amino-4,6-dichloropyrimidine-5-carbonitrile

  • Product code: SSC-035193
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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, 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 1277179-33-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry
25g ≥95% 1 In Stock Shenzhen Inquiry

1277179-33-5 / 2-amino-4,6-dichloropyrimidine-5-carbonitrile

Standard CAS: 1277179-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1277179-33-5
Multi CAS
No
Molecular Formula
C5H2Cl2N4
Molecular Weight
189.000000
Exact Mass
187.965652
SMILES
C(#N)C1=C(N=C(N=C1Cl)N)Cl
InChI
InChI=1S/C5H2Cl2N4/c6-3-2(1-8)4(7)11-5(9)10-3/h(H2,9,10,11)
InChIKey
UGPXXWQEKARQTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.18
TPSA
75.59

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.5
Consensus LogP
1.28
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

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

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