ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C15H21N5O4 — CID 20947940

IUPACethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(NCCN3CCOCC3)c12
InChIInChI=1S/C15H21N5O4/c1-3-23-15(21)12-11-13(17-10(2)18-14(11)24-19-12)16-4-5-20-6-8-22-9-7-20/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyGZTHGAKRRFJGNF-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.85
Rot. Bonds6

About ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947940) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947940
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Nameethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(NCCN3CCOCC3)c12
InChIInChI=1S/C15H21N5O4/c1-3-23-15(21)12-11-13(17-10(2)18-14(11)24-19-12)16-4-5-20-6-8-22-9-7-20/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyGZTHGAKRRFJGNF-UHFFFAOYSA-N
XLogP0.85
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947940) is ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(NCCN3CCOCC3)c12.
What is the InChIKey of ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is GZTHGAKRRFJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-3-23-15(21)12-11-13(17-10(2)18-14(11)24-19-12)16-4-5-20-6-8-22-9-7-20/h3-9H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(2-morpholin-4-ylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).