1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one

C13H20N4O — CID 72902049

IUPAC1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
SMILESCCc1cnc(NCCCN2CCCC2=O)nc1
InChIInChI=1S/C13H20N4O/c1-2-11-9-15-13(16-10-11)14-6-4-8-17-7-3-5-12(17)18/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyQZMJEETUFRCMSN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds6

About 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 72902049) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
PubChem CID72902049
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
SMILESCCc1cnc(NCCCN2CCCC2=O)nc1
InChIInChI=1S/C13H20N4O/c1-2-11-9-15-13(16-10-11)14-6-4-8-17-7-3-5-12(17)18/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyQZMJEETUFRCMSN-UHFFFAOYSA-N
XLogP1.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one (CID 72902049) is 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one is CCc1cnc(NCCCN2CCCC2=O)nc1.
What is the InChIKey of 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is QZMJEETUFRCMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-11-9-15-13(16-10-11)14-6-4-8-17-7-3-5-12(17)18/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-ethylpyrimidin-2-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 72902049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).