5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C8H7BrN4O2 — CID 66287162

IUPAC5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2nc(O)c(Br)c(=O)[nH]2)n1
InChIInChI=1S/C8H7BrN4O2/c1-13-3-2-4(12-13)6-10-7(14)5(9)8(15)11-6/h2-3H,1H3,(H2,10,11,14,15)
InChIKeyHTMRFUWAKUEKCK-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.64
Rot. Bonds1

About 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 66287162) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID66287162
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2nc(O)c(Br)c(=O)[nH]2)n1
InChIInChI=1S/C8H7BrN4O2/c1-13-3-2-4(12-13)6-10-7(14)5(9)8(15)11-6/h2-3H,1H3,(H2,10,11,14,15)
InChIKeyHTMRFUWAKUEKCK-UHFFFAOYSA-N
XLogP0.64
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.64
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-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 66287162) is 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1ccc(-c2nc(O)c(Br)c(=O)[nH]2)n1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is HTMRFUWAKUEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c1-13-3-2-4(12-13)6-10-7(14)5(9)8(15)11-6/h2-3H,1H3,(H2,10,11,14,15).
What are the key properties of 5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 271.07 g/mol, XLogP of 0.64, 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-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66287162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).