methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate

C11H13N3O3 — CID 125425561

IUPACmethyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1c(C(C)C)[nH]c2nccn2c1=O
InChIInChI=1S/C11H13N3O3/c1-6(2)8-7(10(16)17-3)9(15)14-5-4-12-11(14)13-8/h4-6H,1-3H3,(H,12,13)
InChIKeyKEFNIPZPMWGFLO-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.93
Rot. Bonds2

About methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate

methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate (PubChem CID 125425561) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
PubChem CID125425561
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1c(C(C)C)[nH]c2nccn2c1=O
InChIInChI=1S/C11H13N3O3/c1-6(2)8-7(10(16)17-3)9(15)14-5-4-12-11(14)13-8/h4-6H,1-3H3,(H,12,13)
InChIKeyKEFNIPZPMWGFLO-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-ethyl-5-oxo-8H-imidazo[1,2-a]pyrimidine-6-carboxylate
CID 125426333
ethane;methyl 6-hydroxy-5-oxo-8H-imidazo[1,2-a]pyrimidine-7-carboxylate
CID 143705018
methyl 4-(4-fluorophenyl)-5-isocyano-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 58993071
methyl 4-acetyl-5-methoxy-2-propan-2-yl-1H-indole-3-carboxylate
CID 67700763
methyl 2-chloro-4-propan-2-ylpyridine-3-carboxylate
CID 167472553
methyl 2-propan-2-ylimidazole-1-carboxylate
CID 59953857
methyl 1-hydroxyimidazole-2-carboxylate
CID 83387353
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
methyl 5-methylimidazo[1,2-a]pyrimidine-6-carboxylate
CID 155128992
methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
CID 170694441
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
methyl 5-chloro-1-methyl-3-propan-2-ylpyrazole-4-carboxylate
CID 84682330

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate (CID 125425561) is methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate is COC(=O)c1c(C(C)C)[nH]c2nccn2c1=O.
What is the InChIKey of methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is KEFNIPZPMWGFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6(2)8-7(10(16)17-3)9(15)14-5-4-12-11(14)13-8/h4-6H,1-3H3,(H,12,13).
What are the key properties of methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate?
methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 125425561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).