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

C11H15N3O4 — CID 136989711

IUPACmethyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]cn2)CCO1
InChIInChI=1S/C11H15N3O4/c1-17-11(16)4-8-6-14(2-3-18-8)9-5-10(15)13-7-12-9/h5,7-8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyFLDFKRMXMLLZHR-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.46
Rot. Bonds3

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

methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (PubChem CID 136989711) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
PubChem CID136989711
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2cc(=O)[nH]cn2)CCO1
InChIInChI=1S/C11H15N3O4/c1-17-11(16)4-8-6-14(2-3-18-8)9-5-10(15)13-7-12-9/h5,7-8H,2-4,6H2,1H3,(H,12,13,15)
InChIKeyFLDFKRMXMLLZHR-UHFFFAOYSA-N
XLogP-0.46
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 ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate (CID 136989711) is methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2cc(=O)[nH]cn2)CCO1.
What is the InChIKey of methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
The InChIKey is FLDFKRMXMLLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-11(16)4-8-6-14(2-3-18-8)9-5-10(15)13-7-12-9/h5,7-8H,2-4,6H2,1H3,(H,12,13,15).
What are the key properties of methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate?
methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-oxo-1H-pyrimidin-4-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 136989711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).