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CAS 1202759-91-8 N4-(3-aMinophenyl)-5-fluoro-N2-(4-(2-Methoxyethoxy)phenyl)pyriMidine-2,4-diaMine molecular structure lightbox
CAS RN: 1202759-91-8

N4-(3-aMinophenyl)-5-fluoro-N2-(4-(2-Methoxyethoxy)phenyl)pyriMidine-2,4-diaMine

  • Product code: SSC-021123
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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: 0.25g
  • 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 1202759-91-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1202759-91-8 / 4-N-(3-aminophenyl)-5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine

N4-(3-aminophenyl)-5-fluoro-N2-(4-(2-methoxyethoxy)phenyl)pyrimidine-2,4-diamine | MFCD29921609 | C19H20FN5O2

Standard CAS: 1202759-91-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1202759-91-8
Multi CAS
Yes
Molecular Formula
C19H20FN5O2
Molecular Weight
369.400000
Exact Mass
369.160103
SMILES
COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC(=C3)N)F
InChI
InChI=1S/C19H20FN5O2/c1-26-9-10-27-16-7-5-14(6-8-16)24-19-22-12-17(20)18(25-19)23-15-4-2-3-13(21)11-15/h2-8,11-12H,9-10,21H2,1H3,(H2,22,23,24,25)
InChIKey
IMAYPFGCCLDSEQ-UHFFFAOYSA-N
Synonyms
N4-(3-aminophenyl)-5-fluoro-N2-(4-(2-methoxyethoxy)phenyl)pyrimidine-2,4-diamine MFCD29921609 C19H20FN5O2 4-N-(3-aminophenyl)-5-fluoro-2-N-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine N4-(3-aminophenyl)-5-fluoro-N2-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.16
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
103.22
TPSA
94.32

LogP / Solubility

WLOGP
3.71
MLOGP
3.29
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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