5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

C8H8N3O5P — CID 10220749

IUPAC5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(CP(=O)(O)O)ccnc2n1
InChIInChI=1S/C8H8N3O5P/c12-7(13)6-3-11-5(4-17(14,15)16)1-2-9-8(11)10-6/h1-3H,4H2,(H,12,13)(H2,14,15,16)
InChIKeyDIIOWASNSHPIED-UHFFFAOYSA-N
MW257.14 g/mol
LogP0.11
Rot. Bonds3

About 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 10220749) has the molecular formula C8H8N3O5P and a molecular weight of 257.14 g/mol. Its IUPAC name is 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID10220749
Molecular FormulaC8H8N3O5P
Molecular Weight257.14 g/mol
Exact Mass257.02
IUPAC Name5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2c(CP(=O)(O)O)ccnc2n1
InChIInChI=1S/C8H8N3O5P/c12-7(13)6-3-11-5(4-17(14,15)16)1-2-9-8(11)10-6/h1-3H,4H2,(H,12,13)(H2,14,15,16)
InChIKeyDIIOWASNSHPIED-UHFFFAOYSA-N
XLogP0.11
TPSA125.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 10220749) is 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2c(CP(=O)(O)O)ccnc2n1.
What is the InChIKey of 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is DIIOWASNSHPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3O5P/c12-7(13)6-3-11-5(4-17(14,15)16)1-2-9-8(11)10-6/h1-3H,4H2,(H,12,13)(H2,14,15,16).
What are the key properties of 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 257.14 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 10220749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).