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CAS 99361-84-9 2-PyriMidinaMine, 4-(4-nitrophenyl)- molecular structure lightbox
CAS RN: 99361-84-9

2-PyriMidinaMine, 4-(4-nitrophenyl)-

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251218 100mg Out of stock Inquiry
Batchno.20251224 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250501 1g Out of stock Inquiry
Batchno.20260423 250mg Out of stock Inquiry
  • Product code: SSC-213120
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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 99361-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

99361-84-9 / 4-(4-nitrophenyl)pyrimidin-2-amine

Standard CAS: 99361-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99361-84-9
Multi CAS
No
Molecular Formula
C10H8N4O2
Molecular Weight
216.200000
Exact Mass
216.064726
InChI
InChI=1S/C10H8N4O2/c11-10-12-6-5-9(13-10)7-1-3-8(4-2-7)14(15)16/h1-6H,(H2,11,12,13)
InChIKey
CEFMGOCCUMHYKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.53
TPSA
94.94

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

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