2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide

C12H11BrN4O4 — CID 27449421

IUPAC2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C12H11BrN4O4/c1-21-10-3-2-7(4-14-10)15-9(18)6-17-5-8(13)11(19)16-12(17)20/h2-5H,6H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyRGOHZQRZSWFMNZ-UHFFFAOYSA-N
MW355.15 g/mol
LogP0.34
Rot. Bonds4

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 27449421) has the molecular formula C12H11BrN4O4 and a molecular weight of 355.15 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID27449421
Molecular FormulaC12H11BrN4O4
Molecular Weight355.15 g/mol
Exact Mass354.00
IUPAC Name2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C12H11BrN4O4/c1-21-10-3-2-7(4-14-10)15-9(18)6-17-5-8(13)11(19)16-12(17)20/h2-5H,6H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyRGOHZQRZSWFMNZ-UHFFFAOYSA-N
XLogP0.34
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide (CID 27449421) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cn1.
What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is RGOHZQRZSWFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O4/c1-21-10-3-2-7(4-14-10)15-9(18)6-17-5-8(13)11(19)16-12(17)20/h2-5H,6H2,1H3,(H,15,18)(H,16,19,20).
What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 355.15 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 27449421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).