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CAS 1004524-64-4 O6-(4-aminomethylbenzyl)cytosine molecular structure lightbox
CAS RN: 1004524-64-4

O6-(4-aminomethylbenzyl)cytosine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-001028
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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: 0.1g
  • 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 1004524-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1004524-64-4 / 2-[[4-(aminomethyl)phenyl]methoxy]pyrimidin-4-amine

2-((4-(Aminomethyl)benzyl)oxy)pyrimidin-4-amine | 2-[[4-(aminomethyl)phenyl]methoxy]pyrimidin-4-amine | MFCD31568524

Standard CAS: 1004524-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1004524-64-4
Multi CAS
No
Molecular Formula
C12H14N4O
Molecular Weight
230.270000
Exact Mass
230.116761
SMILES
C1=CC(=CC=C1CN)COC2=NC=CC(=N2)N
InChI
InChI=1S/C12H14N4O/c13-7-9-1-3-10(4-2-9)8-17-12-15-6-5-11(14)16-12/h1-6H,7-8,13H2,(H2,14,15,16)
InChIKey
ZDQQJAOFCGIVMZ-UHFFFAOYSA-N
Synonyms
2-((4-(Aminomethyl)benzyl)oxy)pyrimidin-4-amine 2-[[4-(aminomethyl)phenyl]methoxy]pyrimidin-4-amine MFCD31568524 2-(4-(Aminomethyl)benzyloxy)4-aminopyrimidine SCHEMBL2342601

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.11
TPSA
87.05

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
0.5
Consensus LogP
0.86
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

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

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