methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate

C9H11N3O4 — CID 148763113

IUPACmethyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CC(C)N2
InChIInChI=1S/C9H11N3O4/c1-4-3-12-7(14)6(13)5(8(15)16-2)11-9(12)10-4/h4,13H,3H2,1-2H3,(H,10,11)
InChIKeyOGYBJAPXGIYUFP-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.45
Rot. Bonds1

About methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate

methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate (PubChem CID 148763113) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate
PubChem CID148763113
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namemethyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CC(C)N2
InChIInChI=1S/C9H11N3O4/c1-4-3-12-7(14)6(13)5(8(15)16-2)11-9(12)10-4/h4,13H,3H2,1-2H3,(H,10,11)
InChIKeyOGYBJAPXGIYUFP-UHFFFAOYSA-N
XLogP-0.45
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate (CID 148763113) is methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate is COC(=O)c1nc2n(c(=O)c1O)CC(C)N2.
What is the InChIKey of methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is OGYBJAPXGIYUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-4-3-12-7(14)6(13)5(8(15)16-2)11-9(12)10-4/h4,13H,3H2,1-2H3,(H,10,11).
What are the key properties of methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate?
methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 225.20 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 148763113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).