4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine

C15H23FN4O — CID 99714333

IUPAC4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESCCc1ncnc(N2CCC[C@H]2CN2CCOCC2)c1F
InChIInChI=1S/C15H23FN4O/c1-2-13-14(16)15(18-11-17-13)20-5-3-4-12(20)10-19-6-8-21-9-7-19/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyMUJXOFPSIQPULA-LBPRGKRZSA-N
MW294.37 g/mol
LogP1.48
Rot. Bonds4

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

4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 99714333) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID99714333
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
SMILESCCc1ncnc(N2CCC[C@H]2CN2CCOCC2)c1F
InChIInChI=1S/C15H23FN4O/c1-2-13-14(16)15(18-11-17-13)20-5-3-4-12(20)10-19-6-8-21-9-7-19/h11-12H,2-10H2,1H3/t12-/m0/s1
InChIKeyMUJXOFPSIQPULA-LBPRGKRZSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine (CID 99714333) is 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine is CCc1ncnc(N2CCC[C@H]2CN2CCOCC2)c1F.
What is the InChIKey of 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is MUJXOFPSIQPULA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-2-13-14(16)15(18-11-17-13)20-5-3-4-12(20)10-19-6-8-21-9-7-19/h11-12H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine?
4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 294.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 99714333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).