4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one

C13H20FN5O — CID 131962048

IUPAC4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one
SMILESCc1nc(C)c(F)c(NCCCN2CCNC(=O)C2)n1
InChIInChI=1S/C13H20FN5O/c1-9-12(14)13(18-10(2)17-9)16-4-3-6-19-7-5-15-11(20)8-19/h3-8H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyJGWYYUXSLNTQKC-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.47
Rot. Bonds5

About 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one

4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one (PubChem CID 131962048) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one
PubChem CID131962048
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC Name4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one
SMILESCc1nc(C)c(F)c(NCCCN2CCNC(=O)C2)n1
InChIInChI=1S/C13H20FN5O/c1-9-12(14)13(18-10(2)17-9)16-4-3-6-19-7-5-15-11(20)8-19/h3-8H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyJGWYYUXSLNTQKC-UHFFFAOYSA-N
XLogP0.47
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one?
The IUPAC name of 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one (CID 131962048) is 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one.
What is the SMILES notation for 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one?
The canonical SMILES for 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one is Cc1nc(C)c(F)c(NCCCN2CCNC(=O)C2)n1.
What is the InChIKey of 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one?
The InChIKey is JGWYYUXSLNTQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-9-12(14)13(18-10(2)17-9)16-4-3-6-19-7-5-15-11(20)8-19/h3-8H2,1-2H3,(H,15,20)(H,16,17,18).
What are the key properties of 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one?
4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one has a molecular weight of 281.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]propyl]piperazin-2-one is sourced from PubChem (CID 131962048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).