5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one

C7H10BrN3O — CID 135621691

IUPAC5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-3-9-6-5(8)7(12)11-4(2)10-6/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyITUMVNGVTAWTFC-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.27
Rot. Bonds2

About 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one

5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135621691) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID135621691
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-3-9-6-5(8)7(12)11-4(2)10-6/h3H2,1-2H3,(H2,9,10,11,12)
InChIKeyITUMVNGVTAWTFC-UHFFFAOYSA-N
XLogP1.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one (CID 135621691) is 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one is CCNc1nc(C)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ITUMVNGVTAWTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-3-9-6-5(8)7(12)11-4(2)10-6/h3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one?
5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 232.08 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(ethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135621691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).