methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate

C10H13N3O3 — CID 74349816

IUPACmethyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ncccn2)CN1
InChIInChI=1S/C10H13N3O3/c1-15-9(14)8-5-7(6-13-8)16-10-11-3-2-4-12-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyCSPBQYKUALTXOU-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.24
Rot. Bonds3

About methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate

methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate (PubChem CID 74349816) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate
PubChem CID74349816
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(Oc2ncccn2)CN1
InChIInChI=1S/C10H13N3O3/c1-15-9(14)8-5-7(6-13-8)16-10-11-3-2-4-12-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyCSPBQYKUALTXOU-UHFFFAOYSA-N
XLogP-0.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate (CID 74349816) is methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate is COC(=O)C1CC(Oc2ncccn2)CN1.
What is the InChIKey of methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate?
The InChIKey is CSPBQYKUALTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-9(14)8-5-7(6-13-8)16-10-11-3-2-4-12-10/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate?
methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyrimidin-2-yloxypyrrolidine-2-carboxylate is sourced from PubChem (CID 74349816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).