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

C15H23FN6O2 — CID 50963232

IUPAC4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one
SMILESO=C1CN(CCCNc2ncc(F)c(N3CCOCC3)n2)CCN1
InChIInChI=1S/C15H23FN6O2/c16-12-10-19-15(20-14(12)22-6-8-24-9-7-22)18-2-1-4-21-5-3-17-13(23)11-21/h10H,1-9,11H2,(H,17,23)(H,18,19,20)
InChIKeyNWDVFZLOZPYLDO-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.31
Rot. Bonds6

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

4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one (PubChem CID 50963232) has the molecular formula C15H23FN6O2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one
PubChem CID50963232
Molecular FormulaC15H23FN6O2
Molecular Weight338.39 g/mol
Exact Mass338.19
IUPAC Name4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one
SMILESO=C1CN(CCCNc2ncc(F)c(N3CCOCC3)n2)CCN1
InChIInChI=1S/C15H23FN6O2/c16-12-10-19-15(20-14(12)22-6-8-24-9-7-22)18-2-1-4-21-5-3-17-13(23)11-21/h10H,1-9,11H2,(H,17,23)(H,18,19,20)
InChIKeyNWDVFZLOZPYLDO-UHFFFAOYSA-N
XLogP-0.31
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
8-(2-Methoxyethyl)-2-piperazin-1-ylpteridin-7-one
CID 3235191
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-Morpholin-4-yl-2-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 75369968
N-(2-((2-methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)pyrimidine-2-carboxamide
CID 52416993
4-(4-(Piperazin-1-yl)pyrimidin-2-yl)morpholine
CID 76145119
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
N-((4-morpholinopyrimidin-2-yl)methyl)-2-(pyrimidin-2-yloxy)acetamide
CID 72718112
1-{3-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl}pyrrolidin-2-one
CID 50950817

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one?
The IUPAC name of 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one (CID 50963232) is 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one.
What is the SMILES notation for 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one?
The canonical SMILES for 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one is O=C1CN(CCCNc2ncc(F)c(N3CCOCC3)n2)CCN1.
What is the InChIKey of 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one?
The InChIKey is NWDVFZLOZPYLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN6O2/c16-12-10-19-15(20-14(12)22-6-8-24-9-7-22)18-2-1-4-21-5-3-17-13(23)11-21/h10H,1-9,11H2,(H,17,23)(H,18,19,20).
What are the key properties of 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one?
4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one has a molecular weight of 338.39 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]propyl]piperazin-2-one is sourced from PubChem (CID 50963232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).