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CAS 1028327-66-3 VUF 10460 molecular structure lightbox
CAS RN: 1028327-66-3

VUF 10460

  • Product code: SSC-004178
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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 1028327-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1028327-66-3 / 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

VUF 10460 | VUF10460 | 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

Standard CAS: 1028327-66-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1028327-66-3
Multi CAS
No
Molecular Formula
C15H19N5
Molecular Weight
269.340000
Exact Mass
269.164046
SMILES
CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
InChIKey
NIJGWJIOMPHDBP-UHFFFAOYSA-N
Synonyms
VUF 10460 VUF10460 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine MFCD13187037 6-aryl-2-aminopyrimidine, 3

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.59
TPSA
58.28

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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