5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one

C9H7BrN4O2 — CID 115527441

IUPAC5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCc1nccc(-c2nc(O)c(Br)c(=O)[nH]2)n1
InChIInChI=1S/C9H7BrN4O2/c1-4-11-3-2-5(12-4)7-13-8(15)6(10)9(16)14-7/h2-3H,1H3,(H2,13,14,15,16)
InChIKeyGLCFYTYHLYZQTQ-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.00
Rot. Bonds1

About 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one (PubChem CID 115527441) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
PubChem CID115527441
Molecular FormulaC9H7BrN4O2
Molecular Weight283.08 g/mol
Exact Mass281.98
IUPAC Name5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one
SMILESCc1nccc(-c2nc(O)c(Br)c(=O)[nH]2)n1
InChIInChI=1S/C9H7BrN4O2/c1-4-11-3-2-5(12-4)7-13-8(15)6(10)9(16)14-7/h2-3H,1H3,(H2,13,14,15,16)
InChIKeyGLCFYTYHLYZQTQ-UHFFFAOYSA-N
XLogP1.00
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one (CID 115527441) is 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one is Cc1nccc(-c2nc(O)c(Br)c(=O)[nH]2)n1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is GLCFYTYHLYZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c1-4-11-3-2-5(12-4)7-13-8(15)6(10)9(16)14-7/h2-3H,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 283.08 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(2-methylpyrimidin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 115527441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).