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

C5H6BrN3O2 — CID 66285353

IUPAC5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H6BrN3O2/c1-7-5-8-3(10)2(6)4(11)9-5/h1H3,(H3,7,8,9,10,11)
InChIKeyQBYDARRMWZBWTO-UHFFFAOYSA-N
MW220.03 g/mol
LogP0.28
Rot. Bonds1

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

5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 66285353) has the molecular formula C5H6BrN3O2 and a molecular weight of 220.03 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID66285353
Molecular FormulaC5H6BrN3O2
Molecular Weight220.03 g/mol
Exact Mass218.96
IUPAC Name5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C5H6BrN3O2/c1-7-5-8-3(10)2(6)4(11)9-5/h1H3,(H3,7,8,9,10,11)
InChIKeyQBYDARRMWZBWTO-UHFFFAOYSA-N
XLogP0.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one (CID 66285353) is 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is QBYDARRMWZBWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2/c1-7-5-8-3(10)2(6)4(11)9-5/h1H3,(H3,7,8,9,10,11).
What are the key properties of 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 220.03 g/mol, XLogP of 0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 66285353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).