4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one

C12H19N5O — CID 80655291

IUPAC4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one
SMILESCCC1CC(=O)N(Cc2nc(C)cc(NN)n2)C1
InChIInChI=1S/C12H19N5O/c1-3-9-5-12(18)17(6-9)7-11-14-8(2)4-10(15-11)16-13/h4,9H,3,5-7,13H2,1-2H3,(H,14,15,16)
InChIKeyLWXLHJBAOPWIPI-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.83
Rot. Bonds4

About 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one

4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 80655291) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one
PubChem CID80655291
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one
SMILESCCC1CC(=O)N(Cc2nc(C)cc(NN)n2)C1
InChIInChI=1S/C12H19N5O/c1-3-9-5-12(18)17(6-9)7-11-14-8(2)4-10(15-11)16-13/h4,9H,3,5-7,13H2,1-2H3,(H,14,15,16)
InChIKeyLWXLHJBAOPWIPI-UHFFFAOYSA-N
XLogP0.83
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one (CID 80655291) is 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one is CCC1CC(=O)N(Cc2nc(C)cc(NN)n2)C1.
What is the InChIKey of 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is LWXLHJBAOPWIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-5-12(18)17(6-9)7-11-14-8(2)4-10(15-11)16-13/h4,9H,3,5-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one?
4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 80655291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).