ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate

C11H16N4O3 — CID 2816936

IUPACethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1N
InChIInChI=1S/C11H16N4O3/c1-2-18-10(16)8-7-13-11(14-9(8)12)15-3-5-17-6-4-15/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyLFUDBQDKNCOTQO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.07
Rot. Bonds3

About ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate

ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 2816936) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID2816936
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1N
InChIInChI=1S/C11H16N4O3/c1-2-18-10(16)8-7-13-11(14-9(8)12)15-3-5-17-6-4-15/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyLFUDBQDKNCOTQO-UHFFFAOYSA-N
XLogP0.07
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate (CID 2816936) is ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCOCC2)nc1N.
What is the InChIKey of ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is LFUDBQDKNCOTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-18-10(16)8-7-13-11(14-9(8)12)15-3-5-17-6-4-15/h7H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate?
ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 2816936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).