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CAS 1202759-74-7 2-Chloro-5-Methyl-N-(3-nitrophenyl)pyriMidin-4-aMine molecular structure lightbox
CAS RN: 1202759-74-7

2-Chloro-5-Methyl-N-(3-nitrophenyl)pyriMidin-4-aMine

  • Product code: SSC-021122
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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: 0.1g, 0.25g, 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 1202759-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1202759-74-7 / 2-chloro-5-methyl-N-(3-nitrophenyl)pyrimidin-4-amine

2-chloro-5-methyl-N-(3-nitrophenyl)pyrimidin-4-amine | MFCD26385095 | C11H9ClN4O2

Standard CAS: 1202759-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202759-74-7
Multi CAS
No
Molecular Formula
C11H9ClN4O2
Molecular Weight
264.670000
Exact Mass
264.041403
SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H9ClN4O2/c1-7-6-13-11(12)15-10(7)14-8-3-2-4-9(5-8)16(17)18/h2-6H,1H3,(H,13,14,15)
InChIKey
LGDZHLUWVLZOKL-UHFFFAOYSA-N
Synonyms
2-chloro-5-methyl-N-(3-nitrophenyl)pyrimidin-4-amine MFCD26385095 C11H9ClN4O2 (2-chloro-5-methyl-pyrimidin-4-yl)-(3-nitro-phenyl)-amine 2-Chloro-5-methyl-N-(3-nitrophenyl)-pyrimidin-4-amine

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.16
TPSA
80.95

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
3.2
Consensus LogP
3.01
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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