2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid

C10H8N4O3 — CID 121205734

IUPAC2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1cnc(-c2cnccn2)cc1=O
InChIInChI=1S/C10H8N4O3/c15-9-3-7(8-4-11-1-2-12-8)13-6-14(9)5-10(16)17/h1-4,6H,5H2,(H,16,17)
InChIKeyXHZCUUYWSLRYQY-UHFFFAOYSA-N
MW232.20 g/mol
LogP-0.22
Rot. Bonds3

About 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid

2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid (PubChem CID 121205734) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid
PubChem CID121205734
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1cnc(-c2cnccn2)cc1=O
InChIInChI=1S/C10H8N4O3/c15-9-3-7(8-4-11-1-2-12-8)13-6-14(9)5-10(16)17/h1-4,6H,5H2,(H,16,17)
InChIKeyXHZCUUYWSLRYQY-UHFFFAOYSA-N
XLogP-0.22
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid (CID 121205734) is 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid is O=C(O)Cn1cnc(-c2cnccn2)cc1=O.
What is the InChIKey of 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid?
The InChIKey is XHZCUUYWSLRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-9-3-7(8-4-11-1-2-12-8)13-6-14(9)5-10(16)17/h1-4,6H,5H2,(H,16,17).
What are the key properties of 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid?
2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid has a molecular weight of 232.20 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-pyrazin-2-ylpyrimidin-1-yl)acetic acid is sourced from PubChem (CID 121205734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).