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CAS 1388816-81-6 4-AMino-2,6-dichloropyriMidine-5-carboxaMide molecular structure lightbox
CAS RN: 1388816-81-6

4-AMino-2,6-dichloropyriMidine-5-carboxaMide

  • Product code: SSC-049019
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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, 0.1g
  • 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 1388816-81-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

1388816-81-6 / 4-amino-2,6-dichloropyrimidine-5-carboxamide

Standard CAS: 1388816-81-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1388816-81-6
Multi CAS
No
Molecular Formula
C5H4Cl2N4O
Molecular Weight
207.010000
Exact Mass
205.976216
SMILES
C1(=C(N=C(N=C1Cl)Cl)N)C(=O)N
InChI
InChI=1S/C5H4Cl2N4O/c6-2-1(4(9)12)3(8)11-5(7)10-2/h(H2,9,12)(H2,8,10,11)
InChIKey
YMLKQABGWVTDJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.98
TPSA
94.89

LogP / Solubility

WLOGP
0.46
MLOGP
0.41
XLogP3
1.2
Consensus LogP
0.69
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

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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