1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione

C11H15N5O2 — CID 80656636

IUPAC1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(NN)nc(CN2C(=O)CC(C)C2=O)n1
InChIInChI=1S/C11H15N5O2/c1-6-3-10(17)16(11(6)18)5-9-13-7(2)4-8(14-9)15-12/h4,6H,3,5,12H2,1-2H3,(H,13,14,15)
InChIKeyRLYZPLLNJDZMGW-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.03
Rot. Bonds3

About 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 80656636) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID80656636
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(NN)nc(CN2C(=O)CC(C)C2=O)n1
InChIInChI=1S/C11H15N5O2/c1-6-3-10(17)16(11(6)18)5-9-13-7(2)4-8(14-9)15-12/h4,6H,3,5,12H2,1-2H3,(H,13,14,15)
InChIKeyRLYZPLLNJDZMGW-UHFFFAOYSA-N
XLogP-0.03
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{[4-Methyl-6-(pyrrolidin-1-YL)pyrimidin-2-YL]methyl}cyclopropanecarboxamide
CID 71807400
N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)-2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)acetohydrazide
CID 140101195
5-Fluoro-1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]pyrimidine-2,4-dione
CID 80656450
1-[2-Hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 105555237
1-[2-Hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylpyrrolidine-3-carboxamide
CID 105555288
3-[[2-Hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106256819
4-[[2-Hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157149
3-[[2-Hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114567353
N-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 114567571
1-Tert-butyl-4-{[methyl(6-methyl-2-propylpyrimidin-4-YL)amino]methyl}pyrrolidin-2-one
CID 50965963
1-(3-{[6-(Aminomethyl)-2-methylpyrimidin-4-yl]amino}propyl)pyrrolidin-2-one
CID 56722769
(3S)-1-cyclopropyl-N'-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 36809683

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione (CID 80656636) is 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione is Cc1cc(NN)nc(CN2C(=O)CC(C)C2=O)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is RLYZPLLNJDZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-3-10(17)16(11(6)18)5-9-13-7(2)4-8(14-9)15-12/h4,6H,3,5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 80656636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).