1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline

C13H13BrN4 — CID 63867540

IUPAC1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(c2ncc(Br)cn2)c2ccccc21
InChIInChI=1S/C13H13BrN4/c1-17-6-7-18(12-5-3-2-4-11(12)17)13-15-8-10(14)9-16-13/h2-5,8-9H,6-7H2,1H3
InChIKeyIKZXMYTXGDHANQ-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.83
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline

1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline (PubChem CID 63867540) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline
PubChem CID63867540
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(c2ncc(Br)cn2)c2ccccc21
InChIInChI=1S/C13H13BrN4/c1-17-6-7-18(12-5-3-2-4-11(12)17)13-15-8-10(14)9-16-13/h2-5,8-9H,6-7H2,1H3
InChIKeyIKZXMYTXGDHANQ-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline (CID 63867540) is 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline is CN1CCN(c2ncc(Br)cn2)c2ccccc21.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is IKZXMYTXGDHANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c1-17-6-7-18(12-5-3-2-4-11(12)17)13-15-8-10(14)9-16-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline?
1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 305.18 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 63867540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).