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CAS 916603-07-1 N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine molecular structure lightbox
CAS RN: 916603-07-1

N2-[4-(Aminomethyl)phenyl]-5-fluoro-N4-phenylpyrimidine-2,4-diamine

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260524 100mg In stock Shanghai Inquiry
Batchno.20250211 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260419 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250202 250mg In stock Shanghai Inquiry
Batchno.20251102 5g In stock Shanghai Inquiry
  • Product code: SSC-205024
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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: ≥95%
  • 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 916603-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

916603-07-1 / 2-N-[4-(aminomethyl)phenyl]-5-fluoro-4-N-phenylpyrimidine-2,4-diamine

Standard CAS: 916603-07-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916603-07-1
Multi CAS
No
Molecular Formula
C17FH16N5
Molecular Weight
309.340000
Exact Mass
309.138974
InChI
InChI=1S/C17H16FN5/c18-15-11-20-17(22-14-8-6-12(10-19)7-9-14)23-16(15)21-13-4-2-1-3-5-13/h1-9,11H,10,19H2,(H2,20,21,22,23)
InChIKey
UKOHFWNBTUJMMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
89.33
TPSA
75.86

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
2.9
Consensus LogP
3.2
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

Drug-likeness / Medicinal Chemistry

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

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