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

C5H6BrN3O — CID 136955906

IUPAC5-bromo-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C5H6BrN3O/c1-7-4-3(6)5(10)9-2-8-4/h2H,1H3,(H2,7,8,9,10)
InChIKeyBYOUPIMJLXUIFJ-UHFFFAOYSA-N
MW204.03 g/mol
LogP0.57
Rot. Bonds1

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

5-bromo-4-(methylamino)-1H-pyrimidin-6-one (PubChem CID 136955906) has the molecular formula C5H6BrN3O and a molecular weight of 204.03 g/mol. Its IUPAC name is 5-bromo-4-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(methylamino)-1H-pyrimidin-6-one
PubChem CID136955906
Molecular FormulaC5H6BrN3O
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name5-bromo-4-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C5H6BrN3O/c1-7-4-3(6)5(10)9-2-8-4/h2H,1H3,(H2,7,8,9,10)
InChIKeyBYOUPIMJLXUIFJ-UHFFFAOYSA-N
XLogP0.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(methylamino)-1H-pyrimidin-6-one (CID 136955906) is 5-bromo-4-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(methylamino)-1H-pyrimidin-6-one is CNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is BYOUPIMJLXUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O/c1-7-4-3(6)5(10)9-2-8-4/h2H,1H3,(H2,7,8,9,10).
What are the key properties of 5-bromo-4-(methylamino)-1H-pyrimidin-6-one?
5-bromo-4-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 204.03 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).