Cas no 849021-44-9 (1-(5-Bromopyrimidin-2-yl)1,4diazepane)

1-(5-Bromopyrimidin-2-yl)1,4diazepane structure

849021-44-9 structure

Product Name:1-(5-Bromopyrimidin-2-yl)1,4diazepane

CAS No:849021-44-9

MF:C₉H₁₃BrN₄

MW:257.130320310593

MDL:MFCD03426069

CID:716621

PubChem ID:2761040

Update Time:2024-10-26

1-(5-Bromopyrimidin-2-yl)1,4diazepane Chemical and Physical Properties

Names and Identifiers

- 1-(5-Bromopyrimidin-2-yl)-1,4-diazepane
- 1-(5-BROMOPYRIMIDIN-2-YL)[1,4]DIAZEPANE
- 1-(5-Bromopyrimidin-2-yl)-[1,4]-diazepane
- 1-(5-bromopyrimidin-2-yl)-1,4-diazepane hydrochloride
- 1H-1,4-Diazepine,1-(5-bromo-2-pyrimidinyl)hexahydro-
- 1-(5-bromo-pyrimidin-2-yl)-[1,4]diazepane
- 1-(5-Bromo-2-pyrimidinyl)hexahydro-1H-1,4-diazepine (ACI)
- 1-(5-Bromo-2-pyrimidinyl)-1,4-diazepane, AldrichCPR
- ZIB02144
- AKOS009158643
- MFCD03426069
- PS-5940
- DTXSID10375498
- SCHEMBL3188491
- SB58265
- XKAYYTATJMNDJA-UHFFFAOYSA-N
- 849021-44-9
- 1-(5-Bromopyrimidin-2-yl)1,4diazepane
- MDL： MFCD03426069
- Inchi： 1S/C9H13BrN4/c10-8-6-12-9(13-7-8)14-4-1-2-11-3-5-14/h6-7,11H,1-5H2
- InChI Key： XKAYYTATJMNDJA-UHFFFAOYSA-N
- SMILES： BrC1C=NC(N2CCCNCC2)=NC=1

Computed Properties

Exact Mass: 256.03200
Monoisotopic Mass: 256.032
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 14
Rotatable Bond Count: 1
Complexity: 170
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.1
Topological Polar Surface Area: 41?2

Experimental Properties

Density: 1.443
Boiling Point: 394.7°C at 760 mmHg
Flash Point: 192.5°C
Refractive Index: 1.568
PSA: 41.05000
LogP: 1.43260

1-(5-Bromopyrimidin-2-yl)1,4diazepane Pricemore >>

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TRC	B786535-50mg	1-(5-Bromopyrimidin-2-yl)[1,4]diazepane	849021-44-9		50mg	$ 50.00	2022-06-06
TRC	B786535-100mg	1-(5-Bromopyrimidin-2-yl)[1,4]diazepane	849021-44-9		100mg	$ 65.00	2022-06-06
TRC	B786535-500mg	1-(5-Bromopyrimidin-2-yl)[1,4]diazepane	849021-44-9		500mg	$ 160.00	2022-06-06
Fluorochem	023589-1g	1-(5-Bromopyrimidin-2-yl)[1,4]diazepane	849021-44-9	95%	1g	￡71.00	2022-03-01
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Chemenu	CM167510-10g	1-(5-Bromopyrimidin-2-yl)-[1,4]-diazepane	849021-44-9	95%	10g	$422	2021-08-05
Matrix Scientific	007333-5g	1-(5-Bromopyrimidin-2-yl)-[1,4]-diazepane	849021-44-9		5g	$313.00	2023-09-06
Matrix Scientific	007333-1g	1-(5-Bromopyrimidin-2-yl)-[1,4]-diazepane	849021-44-9		1g	$100.00	2023-09-06
Apollo Scientific	OR7696-1g	1-(5-Bromopyrimidin-2-yl)homopiperazine	849021-44-9	95+%	1g	￡180.00	2023-09-02
Apollo Scientific	OR7696-5g	1-(5-Bromopyrimidin-2-yl)homopiperazine	849021-44-9	95+%	5g	￡456.00	2023-09-02

1-(5-Bromopyrimidin-2-yl)1,4diazepane Production Method

Production Method 1

849021-44-9

Reaction Conditions

1.1 Reagents: Hydrochloric acid Solvents: 1,4-Dioxane ; 16 h, rt

Reference

Structure-Bioactivity Relationships of Lapatinib Derived Analogs against Schistosoma mansoni

Buskes, Melissa J. ; Clements, Monica; Bachovchin, Kelly A.; Jalani, Hitesh B. ; Leonard, Allison; et al, ACS Medicinal Chemistry Letters, 2020, 11(3), 258-265