5-bromo-2-(ethylamino)-1H-pyrimidin-6-one

C6H8BrN3O — CID 80866899

IUPAC5-bromo-2-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C6H8BrN3O/c1-2-8-6-9-3-4(7)5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeySUCIJSSYUDYMKR-UHFFFAOYSA-N
MW218.05 g/mol
LogP0.96
Rot. Bonds2

About 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one

5-bromo-2-(ethylamino)-1H-pyrimidin-6-one (PubChem CID 80866899) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-1H-pyrimidin-6-one
PubChem CID80866899
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC Name5-bromo-2-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C6H8BrN3O/c1-2-8-6-9-3-4(7)5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11)
InChIKeySUCIJSSYUDYMKR-UHFFFAOYSA-N
XLogP0.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one (CID 80866899) is 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one is CCNc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one?
The InChIKey is SUCIJSSYUDYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-2-8-6-9-3-4(7)5(11)10-6/h3H,2H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one?
5-bromo-2-(ethylamino)-1H-pyrimidin-6-one has a molecular weight of 218.05 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 80866899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).