5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C10H15BrN6O — CID 80915090

IUPAC5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(NN)ncc2Br)CCC1=O
InChIInChI=1S/C10H15BrN6O/c1-17-5-6(2-3-8(17)18)14-9-7(11)4-13-10(15-9)16-12/h4,6H,2-3,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyDIDYIMSVKIBVFH-UHFFFAOYSA-N
MW315.18 g/mol
LogP0.56
Rot. Bonds3

About 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 80915090) has the molecular formula C10H15BrN6O and a molecular weight of 315.18 g/mol. Its IUPAC name is 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID80915090
Molecular FormulaC10H15BrN6O
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(NN)ncc2Br)CCC1=O
InChIInChI=1S/C10H15BrN6O/c1-17-5-6(2-3-8(17)18)14-9-7(11)4-13-10(15-9)16-12/h4,6H,2-3,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyDIDYIMSVKIBVFH-UHFFFAOYSA-N
XLogP0.56
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 50.56
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 80915090) is 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(NN)ncc2Br)CCC1=O.
What is the InChIKey of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is DIDYIMSVKIBVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN6O/c1-17-5-6(2-3-8(17)18)14-9-7(11)4-13-10(15-9)16-12/h4,6H,2-3,5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 315.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 80915090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).