4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

C17H27FN4O — CID 86801760

IUPAC4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESCCc1ncnc(N2CCCC2CN2CC(C)OC(C)C2)c1F
InChIInChI=1S/C17H27FN4O/c1-4-15-16(18)17(20-11-19-15)22-7-5-6-14(22)10-21-8-12(2)23-13(3)9-21/h11-14H,4-10H2,1-3H3
InChIKeySLOQPOMNVGOCFV-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.26
Rot. Bonds4

About 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 86801760) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
PubChem CID86801760
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
SMILESCCc1ncnc(N2CCCC2CN2CC(C)OC(C)C2)c1F
InChIInChI=1S/C17H27FN4O/c1-4-15-16(18)17(20-11-19-15)22-7-5-6-14(22)10-21-8-12(2)23-13(3)9-21/h11-14H,4-10H2,1-3H3
InChIKeySLOQPOMNVGOCFV-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine (CID 86801760) is 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine is CCc1ncnc(N2CCCC2CN2CC(C)OC(C)C2)c1F.
What is the InChIKey of 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is SLOQPOMNVGOCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-4-15-16(18)17(20-11-19-15)22-7-5-6-14(22)10-21-8-12(2)23-13(3)9-21/h11-14H,4-10H2,1-3H3.
What are the key properties of 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine?
4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 322.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 86801760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).