ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate

C10H13N3O4 — CID 143705018

IUPACethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCC.COC(=O)c1[nH]c2nccn2c(=O)c1O
InChIInChI=1S/C8H7N3O4.C2H6/c1-15-7(14)4-5(12)6(13)11-3-2-9-8(11)10-4;1-2/h2-3,12H,1H3,(H,9,10);1-2H3
InChIKeyPXZJXYQTEOMTFC-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.54
Rot. Bonds1

About ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate

ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate (PubChem CID 143705018) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate
PubChem CID143705018
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Nameethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCC.COC(=O)c1[nH]c2nccn2c(=O)c1O
InChIInChI=1S/C8H7N3O4.C2H6/c1-15-7(14)4-5(12)6(13)11-3-2-9-8(11)10-4;1-2/h2-3,12H,1H3,(H,9,10);1-2H3
InChIKeyPXZJXYQTEOMTFC-UHFFFAOYSA-N
XLogP0.54
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
CID 125425561
methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
CID 125426333
methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
CID 142807728
methyl 1-hydroxyimidazole-2-carboxylate
CID 83387353
methyl 4-hydroxy-7-oxo-3-phenyl-6H-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68629153
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
methyl 5-acetyloxy-3,4-dihydroxy-1H-pyrrole-2-carboxylate
CID 54742951
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
CID 170694441
methyl 5-amino-6-chloroimidazo[1,2-a]pyridine-8-carboxylate
CID 22313263
methyl 3-hydroxy-7-iodo-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101054
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate (CID 143705018) is ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate is CC.COC(=O)c1[nH]c2nccn2c(=O)c1O.
What is the InChIKey of ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is PXZJXYQTEOMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4.C2H6/c1-15-7(14)4-5(12)6(13)11-3-2-9-8(11)10-4;1-2/h2-3,12H,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate?
ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 239.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 143705018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).