3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one

C9H14N6O — CID 80908631

IUPAC3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
SMILESNNc1cc(NC2CCCNC2=O)ncn1
InChIInChI=1S/C9H14N6O/c10-15-8-4-7(12-5-13-8)14-6-2-1-3-11-9(6)16/h4-6H,1-3,10H2,(H,11,16)(H2,12,13,14,15)
InChIKeyJBEMCABQXVDCKV-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.55
Rot. Bonds3

About 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one

3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 80908631) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
PubChem CID80908631
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one
SMILESNNc1cc(NC2CCCNC2=O)ncn1
InChIInChI=1S/C9H14N6O/c10-15-8-4-7(12-5-13-8)14-6-2-1-3-11-9(6)16/h4-6H,1-3,10H2,(H,11,16)(H2,12,13,14,15)
InChIKeyJBEMCABQXVDCKV-UHFFFAOYSA-N
XLogP-0.55
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
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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Related Compounds

3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434
3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
CID 66330181
3-[(2-chloropyrimidin-4-yl)amino]piperidin-2-one
CID 62341701
(3S)-3-(pyrimidin-2-ylamino)azepan-2-one
CID 40506869
3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80954552
3-[(5-bromopyrimidin-2-yl)amino]piperidin-2-one
CID 63873802
3-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]piperidin-2-one
CID 80957227
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
CID 80817246
3-(quinolin-2-ylamino)piperidin-2-one
CID 62091961
5-amino-2-[(2-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 114047149
(3S)-3-[(4-phenyl-1,3,5-triazin-2-yl)amino]piperidin-2-one
CID 167750402
3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one
CID 83000897

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one (CID 80908631) is 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one is NNc1cc(NC2CCCNC2=O)ncn1.
What is the InChIKey of 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is JBEMCABQXVDCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c10-15-8-4-7(12-5-13-8)14-6-2-1-3-11-9(6)16/h4-6H,1-3,10H2,(H,11,16)(H2,12,13,14,15).
What are the key properties of 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one?
3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinylpyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 80908631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).