3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid

C11H9N5O5 — CID 63262327

IUPAC3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H9N5O5/c17-6-1-4-16(11(21)15-6)5-7(18)14-9-8(10(19)20)12-2-3-13-9/h1-4H,5H2,(H,19,20)(H,13,14,18)(H,15,17,21)
InChIKeyZAYAPGXUBMKIGV-UHFFFAOYSA-N
MW291.22 g/mol
LogP-1.34
Rot. Bonds4

About 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid

3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid (PubChem CID 63262327) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid
PubChem CID63262327
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H9N5O5/c17-6-1-4-16(11(21)15-6)5-7(18)14-9-8(10(19)20)12-2-3-13-9/h1-4H,5H2,(H,19,20)(H,13,14,18)(H,15,17,21)
InChIKeyZAYAPGXUBMKIGV-UHFFFAOYSA-N
XLogP-1.34
TPSA147.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid (CID 63262327) is 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is ZAYAPGXUBMKIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c17-6-1-4-16(11(21)15-6)5-7(18)14-9-8(10(19)20)12-2-3-13-9/h1-4H,5H2,(H,19,20)(H,13,14,18)(H,15,17,21).
What are the key properties of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid?
3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 291.22 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).