3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C12H18N6O2 — CID 80924824

IUPAC3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCc1c(NN)ncnc1NC1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H18N6O2/c1-3-7-10(14-6-15-11(7)17-13)16-8-4-5-9(19)18(2)12(8)20/h6,8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyYYDRXRWWJZMTPO-UHFFFAOYSA-N
MW278.32 g/mol
LogP-0.12
Rot. Bonds4

About 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 80924824) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID80924824
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCc1c(NN)ncnc1NC1CCC(=O)N(C)C1=O
InChIInChI=1S/C12H18N6O2/c1-3-7-10(14-6-15-11(7)17-13)16-8-4-5-9(19)18(2)12(8)20/h6,8H,3-5,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyYYDRXRWWJZMTPO-UHFFFAOYSA-N
XLogP-0.12
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256817
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258631
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80938094
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
N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929757
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
N-(2,2-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929258
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256788
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80856243

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 80924824) is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CCc1c(NN)ncnc1NC1CCC(=O)N(C)C1=O.
What is the InChIKey of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is YYDRXRWWJZMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-7-10(14-6-15-11(7)17-13)16-8-4-5-9(19)18(2)12(8)20/h6,8H,3-5,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 278.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80924824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).