methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate

C10H13N3O3 — CID 115538521

IUPACmethyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccncn2)CCO1
InChIInChI=1S/C10H13N3O3/c1-15-10(14)8-6-13(4-5-16-8)9-2-3-11-7-12-9/h2-3,7-8H,4-6H2,1H3
InChIKeyGKXLTQGQOYOLEP-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.15
Rot. Bonds2

About methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate

methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate (PubChem CID 115538521) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
PubChem CID115538521
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccncn2)CCO1
InChIInChI=1S/C10H13N3O3/c1-15-10(14)8-6-13(4-5-16-8)9-2-3-11-7-12-9/h2-3,7-8H,4-6H2,1H3
InChIKeyGKXLTQGQOYOLEP-UHFFFAOYSA-N
XLogP-0.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate (CID 115538521) is methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate is COC(=O)C1CN(c2ccncn2)CCO1.
What is the InChIKey of methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate?
The InChIKey is GKXLTQGQOYOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-10(14)8-6-13(4-5-16-8)9-2-3-11-7-12-9/h2-3,7-8H,4-6H2,1H3.
What are the key properties of methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate?
methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate is sourced from PubChem (CID 115538521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).