1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one

C15H22FN5O2 — CID 50950817

IUPAC1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H22FN5O2/c16-12-11-18-15(19-14(12)21-7-9-23-10-8-21)17-4-2-6-20-5-1-3-13(20)22/h11H,1-10H2,(H,17,18,19)
InChIKeyZGPOQFIDFPDBFV-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.88
Rot. Bonds6

About 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 50950817) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
PubChem CID50950817
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C15H22FN5O2/c16-12-11-18-15(19-14(12)21-7-9-23-10-8-21)17-4-2-6-20-5-1-3-13(20)22/h11H,1-10H2,(H,17,18,19)
InChIKeyZGPOQFIDFPDBFV-UHFFFAOYSA-N
XLogP0.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
3-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)-1,3-oxazolidin-2-one
CID 72906073
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
trans-N-(4-((5-fluoro-4-morpholinopyrimidin-2-yl)amino)cyclohexyl)acetamide
CID 172592025
4-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}piperazin-2-one
CID 50963232
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}acetamide
CID 50976549
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 129491157
1-[2-(4-Amino-5-fluoropyrimidin-2-yl)oxyethyl]pyrrolidin-2-one
CID 57818518
5-fluoro-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 80766838
5-fluoro-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 80777963
1-[2-[[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]morpholin-4-yl]ethanone
CID 141126361

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one (CID 50950817) is 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is ZGPOQFIDFPDBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2/c16-12-11-18-15(19-14(12)21-7-9-23-10-8-21)17-4-2-6-20-5-1-3-13(20)22/h11H,1-10H2,(H,17,18,19).
What are the key properties of 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 323.37 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 50950817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).