4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine

C13H19FN4O — CID 86801739

IUPAC4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESFc1cnc(N2CCCC2CN2CCOCC2)nc1
InChIInChI=1S/C13H19FN4O/c14-11-8-15-13(16-9-11)18-3-1-2-12(18)10-17-4-6-19-7-5-17/h8-9,12H,1-7,10H2
InChIKeyNMKDPAOEKKKSBK-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.92
Rot. Bonds3

About 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine

4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 86801739) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID86801739
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESFc1cnc(N2CCCC2CN2CCOCC2)nc1
InChIInChI=1S/C13H19FN4O/c14-11-8-15-13(16-9-11)18-3-1-2-12(18)10-17-4-6-19-7-5-17/h8-9,12H,1-7,10H2
InChIKeyNMKDPAOEKKKSBK-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine (CID 86801739) is 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine is Fc1cnc(N2CCCC2CN2CCOCC2)nc1.
What is the InChIKey of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is NMKDPAOEKKKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-11-8-15-13(16-9-11)18-3-1-2-12(18)10-17-4-6-19-7-5-17/h8-9,12H,1-7,10H2.
What are the key properties of 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine?
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 266.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 86801739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).