1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid

C15H13N3O5 — CID 18442519

IUPAC1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCN1C(=O)Cn2c1nc(C(=O)O)c(OCc1ccccc1)c2=O
InChIInChI=1S/C15H13N3O5/c1-17-10(19)7-18-13(20)12(11(14(21)22)16-15(17)18)23-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,21,22)
InChIKeyLCYWGWJOJWEFOL-UHFFFAOYSA-N
MW315.28 g/mol
LogP0.50
Rot. Bonds4

About 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid

1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 18442519) has the molecular formula C15H13N3O5 and a molecular weight of 315.28 g/mol. Its IUPAC name is 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID18442519
Molecular FormulaC15H13N3O5
Molecular Weight315.28 g/mol
Exact Mass315.09
IUPAC Name1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCN1C(=O)Cn2c1nc(C(=O)O)c(OCc1ccccc1)c2=O
InChIInChI=1S/C15H13N3O5/c1-17-10(19)7-18-13(20)12(11(14(21)22)16-15(17)18)23-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,21,22)
InChIKeyLCYWGWJOJWEFOL-UHFFFAOYSA-N
XLogP0.50
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid (CID 18442519) is 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid is CN1C(=O)Cn2c1nc(C(=O)O)c(OCc1ccccc1)c2=O.
What is the InChIKey of 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is LCYWGWJOJWEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-17-10(19)7-18-13(20)12(11(14(21)22)16-15(17)18)23-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,21,22).
What are the key properties of 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid?
1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 315.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 18442519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).