2-(6-oxo-1H-pyrimidin-4-yl)acetic acid

C6H6N2O3 — CID 135875757

IUPAC2-(6-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]cn1
InChIInChI=1S/C6H6N2O3/c9-5-1-4(2-6(10)11)7-3-8-5/h1,3H,2H2,(H,10,11)(H,7,8,9)
InChIKeyUGBYCXPPXHBCTD-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.60
Rot. Bonds2

About 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid

2-(6-oxo-1H-pyrimidin-4-yl)acetic acid (PubChem CID 135875757) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-1H-pyrimidin-4-yl)acetic acid
PubChem CID135875757
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-(6-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(=O)[nH]cn1
InChIInChI=1S/C6H6N2O3/c9-5-1-4(2-6(10)11)7-3-8-5/h1,3H,2H2,(H,10,11)(H,7,8,9)
InChIKeyUGBYCXPPXHBCTD-UHFFFAOYSA-N
XLogP-0.60
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid (CID 135875757) is 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid is O=C(O)Cc1cc(=O)[nH]cn1.
What is the InChIKey of 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid?
The InChIKey is UGBYCXPPXHBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-5-1-4(2-6(10)11)7-3-8-5/h1,3H,2H2,(H,10,11)(H,7,8,9).
What are the key properties of 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid?
2-(6-oxo-1H-pyrimidin-4-yl)acetic acid has a molecular weight of 154.12 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 135875757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).