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

C9H12N4O3 — CID 136978430

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H12N4O3/c14-8-3-7(11-5-12-8)13-2-1-10-4-6(13)9(15)16/h3,5-6,10H,1-2,4H2,(H,15,16)(H,11,12,14)
InChIKeyFAYBBINZOZFBBJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.37
Rot. Bonds2

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

1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 136978430) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID136978430
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C9H12N4O3/c14-8-3-7(11-5-12-8)13-2-1-10-4-6(13)9(15)16/h3,5-6,10H,1-2,4H2,(H,15,16)(H,11,12,14)
InChIKeyFAYBBINZOZFBBJ-UHFFFAOYSA-N
XLogP-1.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid (CID 136978430) is 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid is O=C(O)C1CNCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is FAYBBINZOZFBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-8-3-7(11-5-12-8)13-2-1-10-4-6(13)9(15)16/h3,5-6,10H,1-2,4H2,(H,15,16)(H,11,12,14).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid?
1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 136978430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).