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CAS 1201657-24-0 4-Chloro-5-(trifluoroMethyl)pyriMidin-2-aMine molecular structure lightbox
CAS RN: 1201657-24-0

4-Chloro-5-(trifluoroMethyl)pyriMidin-2-aMine

  • Product code: SSC-020968
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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: ＞97%
  • 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 1201657-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1201657-24-0 / 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine

4-Chloro-5-(trifluoromethyl)pyrimidin-2-amine | 2-Pyrimidinamine, 4-chloro-5-(trifluoromethyl)- | MFCD20694893

Standard CAS: 1201657-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201657-24-0
Multi CAS
No
Molecular Formula
C5H3ClF3N3
Molecular Weight
197.540000
Exact Mass
196.996759
SMILES
C1=C(C(=NC(=N1)N)Cl)C(F)(F)F
InChI
InChI=1S/C5H3ClF3N3/c6-3-2(5(7,8)9)1-11-4(10)12-3/h1H,(H2,10,11,12)
InChIKey
UWPIJBRPRPTDTI-UHFFFAOYSA-N
Synonyms
4-Chloro-5-(trifluoromethyl)pyrimidin-2-amine 2-Pyrimidinamine, 4-chloro-5-(trifluoromethyl)- MFCD20694893 SCHEMBL148812 DTXSID10620157

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.46
TPSA
51.8

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-2.7

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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