ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate

C15H20N6O5 — CID 158152323

IUPACethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)NC(=O)CC2.CCOC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C9H11N3O3.C6H9N3O2/c1-2-15-8(14)6-5-12-4-3-7(13)11-9(12)10-6;1-2-11-5(10)4-3-8-6(7)9-4/h5H,2-4H2,1H3,(H,10,11,13);3H,2H2,1H3,(H3,7,8,9)
InChIKeyFVGMSTZADDKEHN-UHFFFAOYSA-N
MW364.36 g/mol
LogP0.57
Rot. Bonds4

About ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate

ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate (PubChem CID 158152323) has the molecular formula C15H20N6O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate
PubChem CID158152323
Molecular FormulaC15H20N6O5
Molecular Weight364.36 g/mol
Exact Mass364.15
IUPAC Nameethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)NC(=O)CC2.CCOC(=O)c1cnc(N)[nH]1
InChIInChI=1S/C9H11N3O3.C6H9N3O2/c1-2-15-8(14)6-5-12-4-3-7(13)11-9(12)10-6;1-2-11-5(10)4-3-8-6(7)9-4/h5H,2-4H2,1H3,(H,10,11,13);3H,2H2,1H3,(H3,7,8,9)
InChIKeyFVGMSTZADDKEHN-UHFFFAOYSA-N
XLogP0.57
TPSA154.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate (CID 158152323) is ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cn2c(n1)NC(=O)CC2.CCOC(=O)c1cnc(N)[nH]1.
What is the InChIKey of ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is FVGMSTZADDKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3.C6H9N3O2/c1-2-15-8(14)6-5-12-4-3-7(13)11-9(12)10-6;1-2-11-5(10)4-3-8-6(7)9-4/h5H,2-4H2,1H3,(H,10,11,13);3H,2H2,1H3,(H3,7,8,9).
What are the key properties of ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate?
ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 364.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1H-imidazole-5-carboxylate;ethyl 7-oxo-6,8-dihydro-5H-imidazo[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 158152323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).