8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid

C10H13N2O4P — CID 58798974

IUPAC8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1(C)CCn2c1nc(C(=O)O)c(OP)c2=O
InChIInChI=1S/C10H13N2O4P/c1-10(2)3-4-12-7(13)6(16-17)5(8(14)15)11-9(10)12/h3-4,17H2,1-2H3,(H,14,15)
InChIKeyGDFUZARSAMVPKM-UHFFFAOYSA-N
MW256.20 g/mol
LogP0.79
Rot. Bonds2

About 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid

8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 58798974) has the molecular formula C10H13N2O4P and a molecular weight of 256.20 g/mol. Its IUPAC name is 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID58798974
Molecular FormulaC10H13N2O4P
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCC1(C)CCn2c1nc(C(=O)O)c(OP)c2=O
InChIInChI=1S/C10H13N2O4P/c1-10(2)3-4-12-7(13)6(16-17)5(8(14)15)11-9(10)12/h3-4,17H2,1-2H3,(H,14,15)
InChIKeyGDFUZARSAMVPKM-UHFFFAOYSA-N
XLogP0.79
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid (CID 58798974) is 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid is CC1(C)CCn2c1nc(C(=O)O)c(OP)c2=O.
What is the InChIKey of 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is GDFUZARSAMVPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O4P/c1-10(2)3-4-12-7(13)6(16-17)5(8(14)15)11-9(10)12/h3-4,17H2,1-2H3,(H,14,15).
What are the key properties of 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid?
8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 256.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-oxo-3-phosphanyloxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 58798974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).