5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one

C10H8BrN3O2 — CID 81311672

IUPAC5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(Br)c(=O)[nH]2)nc1
InChIInChI=1S/C10H8BrN3O2/c1-5-2-3-6(12-4-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyPZWUNEWPGNZNJQ-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.61
Rot. Bonds1

About 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 81311672) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID81311672
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(Br)c(=O)[nH]2)nc1
InChIInChI=1S/C10H8BrN3O2/c1-5-2-3-6(12-4-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyPZWUNEWPGNZNJQ-UHFFFAOYSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one (CID 81311672) is 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(O)c(Br)c(=O)[nH]2)nc1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is PZWUNEWPGNZNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-5-2-3-6(12-4-5)8-13-9(15)7(11)10(16)14-8/h2-4H,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 282.10 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 81311672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).