methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate

C12H16N4O4 — CID 115537416

IUPACmethyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)Nc2ncccn2)CCO1
InChIInChI=1S/C12H16N4O4/c1-19-11(18)9-7-16(5-6-20-9)8-10(17)15-12-13-3-2-4-14-12/h2-4,9H,5-8H2,1H3,(H,13,14,15,17)
InChIKeyBZBQKHPZRTXNEH-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.71
Rot. Bonds4

About methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate

methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate (PubChem CID 115537416) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
PubChem CID115537416
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Namemethyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC(=O)Nc2ncccn2)CCO1
InChIInChI=1S/C12H16N4O4/c1-19-11(18)9-7-16(5-6-20-9)8-10(17)15-12-13-3-2-4-14-12/h2-4,9H,5-8H2,1H3,(H,13,14,15,17)
InChIKeyBZBQKHPZRTXNEH-UHFFFAOYSA-N
XLogP-0.71
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate (CID 115537416) is methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate is COC(=O)C1CN(CC(=O)Nc2ncccn2)CCO1.
What is the InChIKey of methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate?
The InChIKey is BZBQKHPZRTXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-19-11(18)9-7-16(5-6-20-9)8-10(17)15-12-13-3-2-4-14-12/h2-4,9H,5-8H2,1H3,(H,13,14,15,17).
What are the key properties of methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate?
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate is sourced from PubChem (CID 115537416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).