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CAS 1027616-32-5 tert-butyl 4-(5-iodopyrimidin-2-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1027616-32-5

tert-butyl 4-(5-iodopyrimidin-2-yl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260423 1g Out of stock 1 business days Inquiry
  • Product code: SSC-004106
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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 1027616-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1027616-32-5 / tert-butyl 4-(5-iodopyrimidin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-iodopyrimidin-2-yl)piperazine-1-carboxylate | MFCD11977095 | SCHEMBL18373803

Standard CAS: 1027616-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1027616-32-5
Multi CAS
No
Molecular Formula
C13H19IN4O2
Molecular Weight
390.220000
Exact Mass
390.055270
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)I
InChI
InChI=1S/C13H19IN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChIKey
QTVLKNKJZMNQKD-UHFFFAOYSA-N
Synonyms
tert-butyl 4-(5-iodopyrimidin-2-yl)piperazine-1-carboxylate MFCD11977095 SCHEMBL18373803 C13H19IN4O2 AKOS037646793

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
84.77
TPSA
58.56

LogP / Solubility

WLOGP
2.14
MLOGP
1.9
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

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
1.5

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