ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C17H17N5O5 — CID 46352858

IUPACethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)n(CC(=O)Nc3cccc(C)n3)c(=O)c12
InChIInChI=1S/C17H17N5O5/c1-4-26-17(25)14-13-15(27-21-14)19-10(3)22(16(13)24)8-12(23)20-11-7-5-6-9(2)18-11/h5-7H,4,8H2,1-3H3,(H,18,20,23)
InChIKeyJGBBHOUGYOQWKX-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.21
Rot. Bonds5

About ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46352858) has the molecular formula C17H17N5O5 and a molecular weight of 371.35 g/mol. Its IUPAC name is ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46352858
Molecular FormulaC17H17N5O5
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Nameethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)n(CC(=O)Nc3cccc(C)n3)c(=O)c12
InChIInChI=1S/C17H17N5O5/c1-4-26-17(25)14-13-15(27-21-14)19-10(3)22(16(13)24)8-12(23)20-11-7-5-6-9(2)18-11/h5-7H,4,8H2,1-3H3,(H,18,20,23)
InChIKeyJGBBHOUGYOQWKX-UHFFFAOYSA-N
XLogP1.21
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46352858) is ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3cccc(C)n3)c(=O)c12.
What is the InChIKey of ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is JGBBHOUGYOQWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O5/c1-4-26-17(25)14-13-15(27-21-14)19-10(3)22(16(13)24)8-12(23)20-11-7-5-6-9(2)18-11/h5-7H,4,8H2,1-3H3,(H,18,20,23).
What are the key properties of ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 371.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46352858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).