3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid

C11H9N5O5 — CID 63261949

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H9N5O5/c17-6(3-5-4-7(18)16-11(21)14-5)15-9-8(10(19)20)12-1-2-13-9/h1-2,4H,3H2,(H,19,20)(H,13,15,17)(H2,14,16,18,21)
InChIKeyITLGLKSBUGQCOO-UHFFFAOYSA-N
MW291.22 g/mol
LogP-1.27
Rot. Bonds4

About 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid (PubChem CID 63261949) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid
PubChem CID63261949
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H9N5O5/c17-6(3-5-4-7(18)16-11(21)14-5)15-9-8(10(19)20)12-1-2-13-9/h1-2,4H,3H2,(H,19,20)(H,13,15,17)(H2,14,16,18,21)
InChIKeyITLGLKSBUGQCOO-UHFFFAOYSA-N
XLogP-1.27
TPSA157.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid (CID 63261949) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is ITLGLKSBUGQCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c17-6(3-5-4-7(18)16-11(21)14-5)15-9-8(10(19)20)12-1-2-13-9/h1-2,4H,3H2,(H,19,20)(H,13,15,17)(H2,14,16,18,21).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 291.22 g/mol, XLogP of -1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63261949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).