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

C17H17N3O5 — CID 18442533

IUPACethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC(=O)N2C
InChIInChI=1S/C17H17N3O5/c1-3-24-16(23)13-14(25-10-11-7-5-4-6-8-11)15(22)20-9-12(21)19(2)17(20)18-13/h4-8H,3,9-10H2,1-2H3
InChIKeyMEYGHVJQDOZJDY-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.98
Rot. Bonds5

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

ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate (PubChem CID 18442533) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate
PubChem CID18442533
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Nameethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC(=O)N2C
InChIInChI=1S/C17H17N3O5/c1-3-24-16(23)13-14(25-10-11-7-5-4-6-8-11)15(22)20-9-12(21)19(2)17(20)18-13/h4-8H,3,9-10H2,1-2H3
InChIKeyMEYGHVJQDOZJDY-UHFFFAOYSA-N
XLogP0.98
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate (CID 18442533) is ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate is CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC(=O)N2C.
What is the InChIKey of ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is MEYGHVJQDOZJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-3-24-16(23)13-14(25-10-11-7-5-4-6-8-11)15(22)20-9-12(21)19(2)17(20)18-13/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate?
ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2,5-dioxo-6-phenylmethoxy-3H-imidazo[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 18442533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).