3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

C11H18N6O — CID 106256817

IUPAC3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCc1c(NN)ncnc1NC1CCN(C)C1=O
InChIInChI=1S/C11H18N6O/c1-3-7-9(13-6-14-10(7)16-12)15-8-4-5-17(2)11(8)18/h6,8H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyKZHHHPIHJFKZOU-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.03
Rot. Bonds4

About 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106256817) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106256817
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCc1c(NN)ncnc1NC1CCN(C)C1=O
InChIInChI=1S/C11H18N6O/c1-3-7-9(13-6-14-10(7)16-12)15-8-4-5-17(2)11(8)18/h6,8H,3-5,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyKZHHHPIHJFKZOU-UHFFFAOYSA-N
XLogP-0.03
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258631
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256788
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924824
1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106258791
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258768
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258572
3-[(5-bromo-6-chloropyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257612
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
N-(1,1-dioxothian-4-yl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80898843
6-hydrazinyl-N-(1-methylpiperidin-4-yl)-5-propylpyrimidin-4-amine
CID 80895120
5-ethyl-6-hydrazinyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83027407

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106256817) is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is CCc1c(NN)ncnc1NC1CCN(C)C1=O.
What is the InChIKey of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is KZHHHPIHJFKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-7-9(13-6-14-10(7)16-12)15-8-4-5-17(2)11(8)18/h6,8H,3-5,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 250.31 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106256817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).