methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate

C11H15N3O4 — CID 136501535

IUPACmethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-17-11(16)6-8-12-9(7-10(15)13-8)14-2-4-18-5-3-14/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyMCPOAKJZGOTZMY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.68
Rot. Bonds3

About methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate

methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate (PubChem CID 136501535) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
PubChem CID136501535
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-17-11(16)6-8-12-9(7-10(15)13-8)14-2-4-18-5-3-14/h7H,2-6H2,1H3,(H,12,13,15)
InChIKeyMCPOAKJZGOTZMY-UHFFFAOYSA-N
XLogP-0.68
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate (CID 136501535) is methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate is COC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The InChIKey is MCPOAKJZGOTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-11(16)6-8-12-9(7-10(15)13-8)14-2-4-18-5-3-14/h7H,2-6H2,1H3,(H,12,13,15).
What are the key properties of methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate has a molecular weight of 253.26 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate is sourced from PubChem (CID 136501535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).