2-pyrimidin-5-ylacetic acid

C6H6N2O2 — CID 21471675

IUPAC2-pyrimidin-5-ylacetic acid
SMILESO=C(O)Cc1cncnc1
InChIInChI=1S/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)
InChIKeyHEEUMCHKVXTQIP-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.10
Rot. Bonds2

About 2-pyrimidin-5-ylacetic acid

2-pyrimidin-5-ylacetic acid (PubChem CID 21471675) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-pyrimidin-5-ylacetic acid.

Molecular Properties

Compound Name2-pyrimidin-5-ylacetic acid
PubChem CID21471675
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name2-pyrimidin-5-ylacetic acid
SMILESO=C(O)Cc1cncnc1
InChIInChI=1S/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)
InChIKeyHEEUMCHKVXTQIP-UHFFFAOYSA-N
XLogP0.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-ylacetic acid?
The IUPAC name of 2-pyrimidin-5-ylacetic acid (CID 21471675) is 2-pyrimidin-5-ylacetic acid.
What is the SMILES notation for 2-pyrimidin-5-ylacetic acid?
The canonical SMILES for 2-pyrimidin-5-ylacetic acid is O=C(O)Cc1cncnc1.
What is the InChIKey of 2-pyrimidin-5-ylacetic acid?
The InChIKey is HEEUMCHKVXTQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10).
What are the key properties of 2-pyrimidin-5-ylacetic acid?
2-pyrimidin-5-ylacetic acid has a molecular weight of 138.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-ylacetic acid is sourced from PubChem (CID 21471675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).