2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide

C12H16BrN3O3 — CID 71896754

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C12H16BrN3O3/c1-7(8-3-4-8)15(2)10(17)6-16-5-9(13)11(18)14-12(16)19/h5,7-8H,3-4,6H2,1-2H3,(H,14,18,19)
InChIKeyZLLDVAARGXRFRG-UHFFFAOYSA-N
MW330.18 g/mol
LogP0.56
Rot. Bonds4

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide (PubChem CID 71896754) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide
PubChem CID71896754
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide
SMILESCC(C1CC1)N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O
InChIInChI=1S/C12H16BrN3O3/c1-7(8-3-4-8)15(2)10(17)6-16-5-9(13)11(18)14-12(16)19/h5,7-8H,3-4,6H2,1-2H3,(H,14,18,19)
InChIKeyZLLDVAARGXRFRG-UHFFFAOYSA-N
XLogP0.56
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide (CID 71896754) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide is CC(C1CC1)N(C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide?
The InChIKey is ZLLDVAARGXRFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-7(8-3-4-8)15(2)10(17)6-16-5-9(13)11(18)14-12(16)19/h5,7-8H,3-4,6H2,1-2H3,(H,14,18,19).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide has a molecular weight of 330.18 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(1-cyclopropylethyl)-N-methylacetamide is sourced from PubChem (CID 71896754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).