5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one

C7H10BrN3O — CID 168966508

IUPAC5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one
SMILESCCNc1ncc(Br)c(=O)n1C
InChIInChI=1S/C7H10BrN3O/c1-3-9-7-10-4-5(8)6(12)11(7)2/h4H,3H2,1-2H3,(H,9,10)
InChIKeyDDDOTPLARUWZPE-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.97
Rot. Bonds2

About 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one

5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one (PubChem CID 168966508) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one
PubChem CID168966508
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one
SMILESCCNc1ncc(Br)c(=O)n1C
InChIInChI=1S/C7H10BrN3O/c1-3-9-7-10-4-5(8)6(12)11(7)2/h4H,3H2,1-2H3,(H,9,10)
InChIKeyDDDOTPLARUWZPE-UHFFFAOYSA-N
XLogP0.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one (CID 168966508) is 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one is CCNc1ncc(Br)c(=O)n1C.
What is the InChIKey of 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one?
The InChIKey is DDDOTPLARUWZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-3-9-7-10-4-5(8)6(12)11(7)2/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one?
5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one has a molecular weight of 232.08 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 168966508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).