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

C16H15N5O5 — CID 46352779

IUPACethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(CC(=O)Nc3cccc(C)n3)c(=O)c12
InChIInChI=1S/C16H15N5O5/c1-3-25-16(24)13-12-14(26-20-13)17-8-21(15(12)23)7-11(22)19-10-6-4-5-9(2)18-10/h4-6,8H,3,7H2,1-2H3,(H,18,19,22)
InChIKeyNYFNSZRXBDGEAN-UHFFFAOYSA-N
MW357.33 g/mol
LogP0.90
Rot. Bonds5

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

ethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46352779) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is ethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46352779
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC Nameethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(CC(=O)Nc3cccc(C)n3)c(=O)c12
InChIInChI=1S/C16H15N5O5/c1-3-25-16(24)13-12-14(26-20-13)17-8-21(15(12)23)7-11(22)19-10-6-4-5-9(2)18-10/h4-6,8H,3,7H2,1-2H3,(H,18,19,22)
InChIKeyNYFNSZRXBDGEAN-UHFFFAOYSA-N
XLogP0.90
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

Ethyl 4-oxo-5-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)-4H,5H-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16029577
Ethyl 5-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-4-oxo-4H,5H-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16029579
Ethyl 4-[(2,4-difluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 16027294
Ethyl 4-[(3-methoxy-3-oxopropyl)(phenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027326
Ethyl 5-{[(2-fluorophenyl)carbamoyl]methyl}-6-methyl-4-oxo-4H,5H-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16029261
Ethyl 4-(ethylanilino)isoxazolo[5,4-D]pyrimidine-3-carboxylate
CID 45106913
Ethyl 4-[(4-fluorophenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947831
Ethyl 4-[(2,5-difluorophenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947878
Ethyl 4-[(4-fluorophenyl)amino]-6-methyl-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947921
Ethyl 4-[(2,4-difluorophenyl)amino]-6-methyl-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947930
Ethyl 4-[(2-fluorophenyl)amino]-6-methyl-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947932
Ethyl 4-[(3-fluorophenyl)amino]-6-methyl-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947962

Frequently Asked Questions

What is the IUPAC name of ethyl 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 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46352779) is ethyl 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 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 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncn(CC(=O)Nc3cccc(C)n3)c(=O)c12.
What is the InChIKey of ethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is NYFNSZRXBDGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5/c1-3-25-16(24)13-12-14(26-20-13)17-8-21(15(12)23)7-11(22)19-10-6-4-5-9(2)18-10/h4-6,8H,3,7H2,1-2H3,(H,18,19,22).
What are the key properties of ethyl 5-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 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 357.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 46352779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).