6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one

C15H21BrN4O2 — CID 53375227

IUPAC6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one
SMILESCC1(C)C(=O)Nc2ncc(Br)nc2N1CCC1CCOCC1
InChIInChI=1S/C15H21BrN4O2/c1-15(2)14(21)19-12-13(18-11(16)9-17-12)20(15)6-3-10-4-7-22-8-5-10/h9-10H,3-8H2,1-2H3,(H,17,19,21)
InChIKeyTZEFGHLONAEWQU-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.59
Rot. Bonds3

About 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one

6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one (PubChem CID 53375227) has the molecular formula C15H21BrN4O2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one
PubChem CID53375227
Molecular FormulaC15H21BrN4O2
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one
SMILESCC1(C)C(=O)Nc2ncc(Br)nc2N1CCC1CCOCC1
InChIInChI=1S/C15H21BrN4O2/c1-15(2)14(21)19-12-13(18-11(16)9-17-12)20(15)6-3-10-4-7-22-8-5-10/h9-10H,3-8H2,1-2H3,(H,17,19,21)
InChIKeyTZEFGHLONAEWQU-UHFFFAOYSA-N
XLogP2.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one?
The IUPAC name of 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one (CID 53375227) is 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one.
What is the SMILES notation for 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one?
The canonical SMILES for 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one is CC1(C)C(=O)Nc2ncc(Br)nc2N1CCC1CCOCC1.
What is the InChIKey of 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one?
The InChIKey is TZEFGHLONAEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O2/c1-15(2)14(21)19-12-13(18-11(16)9-17-12)20(15)6-3-10-4-7-22-8-5-10/h9-10H,3-8H2,1-2H3,(H,17,19,21).
What are the key properties of 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one?
6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one has a molecular weight of 369.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,3-dimethyl-4-[2-(oxan-4-yl)ethyl]-1H-pyrazino[2,3-b]pyrazin-2-one is sourced from PubChem (CID 53375227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).