5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine

C9H12BrN3O2 — CID 131086158

IUPAC5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine
SMILESBrc1cnc(NC2COCCOC2)cn1
InChIInChI=1S/C9H12BrN3O2/c10-8-3-12-9(4-11-8)13-7-5-14-1-2-15-6-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyUDMUVRCGUOROHY-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.07
Rot. Bonds2

About 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine

5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine (PubChem CID 131086158) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine
PubChem CID131086158
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine
SMILESBrc1cnc(NC2COCCOC2)cn1
InChIInChI=1S/C9H12BrN3O2/c10-8-3-12-9(4-11-8)13-7-5-14-1-2-15-6-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyUDMUVRCGUOROHY-UHFFFAOYSA-N
XLogP1.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607
N-(1,4-dioxepan-6-yl)-2-fluoropyrimidin-4-amine
CID 164645316
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778
2-bromo-5-(oxetan-3-yl)pyrazine
CID 138113315
4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
3-bromo-2-N-(oxolan-3-yl)pyridine-2,5-diamine
CID 80716678
5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
CID 167981476
2-N-(oxolan-3-yl)pyrazine-2,6-diamine
CID 80714757
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine?
The IUPAC name of 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine (CID 131086158) is 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine.
What is the SMILES notation for 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine?
The canonical SMILES for 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine is Brc1cnc(NC2COCCOC2)cn1.
What is the InChIKey of 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine?
The InChIKey is UDMUVRCGUOROHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-8-3-12-9(4-11-8)13-7-5-14-1-2-15-6-7/h3-4,7H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine?
5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine has a molecular weight of 274.12 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,4-dioxepan-6-yl)pyrazin-2-amine is sourced from PubChem (CID 131086158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).