2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one

C13H9BrN4O — CID 135435166

IUPAC2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc3ccccc3n2)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H9BrN4O/c14-10-11(17-13(15)18-12(10)19)9-6-5-7-3-1-2-4-8(7)16-9/h1-6H,(H3,15,17,18,19)
InChIKeyLGHDBOHUHVQUQU-UHFFFAOYSA-N
MW317.15 g/mol
LogP2.33
Rot. Bonds1

About 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one

2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one (PubChem CID 135435166) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one
PubChem CID135435166
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc3ccccc3n2)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H9BrN4O/c14-10-11(17-13(15)18-12(10)19)9-6-5-7-3-1-2-4-8(7)16-9/h1-6H,(H3,15,17,18,19)
InChIKeyLGHDBOHUHVQUQU-UHFFFAOYSA-N
XLogP2.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one (CID 135435166) is 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one is Nc1nc(-c2ccc3ccccc3n2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one?
The InChIKey is LGHDBOHUHVQUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-10-11(17-13(15)18-12(10)19)9-6-5-7-3-1-2-4-8(7)16-9/h1-6H,(H3,15,17,18,19).
What are the key properties of 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one?
2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one has a molecular weight of 317.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-quinolin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135435166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).