ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C13H16N4O3 — CID 46340193

IUPACethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(N3CCCC3)c12
InChIInChI=1S/C13H16N4O3/c1-3-19-13(18)10-9-11(17-6-4-5-7-17)14-8(2)15-12(9)20-16-10/h3-7H2,1-2H3
InChIKeyBEDWYAIHVFMYRJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.70
Rot. Bonds3

About ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46340193) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46340193
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nameethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(N3CCCC3)c12
InChIInChI=1S/C13H16N4O3/c1-3-19-13(18)10-9-11(17-6-4-5-7-17)14-8(2)15-12(9)20-16-10/h3-7H2,1-2H3
InChIKeyBEDWYAIHVFMYRJ-UHFFFAOYSA-N
XLogP1.70
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46340193) is ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(N3CCCC3)c12.
What is the InChIKey of ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is BEDWYAIHVFMYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-19-13(18)10-9-11(17-6-4-5-7-17)14-8(2)15-12(9)20-16-10/h3-7H2,1-2H3.
What are the key properties of ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-pyrrolidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46340193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).