1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium

C7H7N2O4PY-2 — CID 58777372

IUPAC1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium
SMILES[CH2-]c1nc(C(=O)O)c(OP)c(=O)n1[CH2-].[Y]
InChIInChI=1S/C7H7N2O4P.Y/c1-3-8-4(7(11)12)5(13-14)6(10)9(3)2;/h1-2,14H2,(H,11,12);/q-2;
InChIKeyTVZAFSQHPMEHRM-UHFFFAOYSA-N
MW303.02 g/mol
LogP-0.07
Rot. Bonds2

About 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium

1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium (PubChem CID 58777372) has the molecular formula C7H7N2O4PY-2 and a molecular weight of 303.02 g/mol. Its IUPAC name is 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium.

Molecular Properties

Compound Name1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium
PubChem CID58777372
Molecular FormulaC7H7N2O4PY-2
Molecular Weight303.02 g/mol
Exact Mass302.92
IUPAC Name1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium
SMILES[CH2-]c1nc(C(=O)O)c(OP)c(=O)n1[CH2-].[Y]
InChIInChI=1S/C7H7N2O4P.Y/c1-3-8-4(7(11)12)5(13-14)6(10)9(3)2;/h1-2,14H2,(H,11,12);/q-2;
InChIKeyTVZAFSQHPMEHRM-UHFFFAOYSA-N
XLogP-0.07
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium?
The IUPAC name of 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium (CID 58777372) is 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium.
What is the SMILES notation for 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium?
The canonical SMILES for 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium is [CH2-]c1nc(C(=O)O)c(OP)c(=O)n1[CH2-].[Y].
What is the InChIKey of 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium?
The InChIKey is TVZAFSQHPMEHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O4P.Y/c1-3-8-4(7(11)12)5(13-14)6(10)9(3)2;/h1-2,14H2,(H,11,12);/q-2;.
What are the key properties of 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium?
1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium has a molecular weight of 303.02 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethanidyl-6-oxo-5-phosphanyloxypyrimidine-4-carboxylic acid;yttrium is sourced from PubChem (CID 58777372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).