[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone

C15H25N5O — CID 104968886

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1ncc(NN)c(C(=O)N2[C@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C15H25N5O/c1-9(2)14-17-8-12(19-16)13(18-14)15(21)20-10(3)6-5-7-11(20)4/h8-11,19H,5-7,16H2,1-4H3/t10-,11+
InChIKeyQDHKRUHRGPKPQX-PHIMTYICSA-N
MW291.40 g/mol
LogP2.29
Rot. Bonds3

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone (PubChem CID 104968886) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
PubChem CID104968886
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone
SMILESCC(C)c1ncc(NN)c(C(=O)N2[C@H](C)CCC[C@@H]2C)n1
InChIInChI=1S/C15H25N5O/c1-9(2)14-17-8-12(19-16)13(18-14)15(21)20-10(3)6-5-7-11(20)4/h8-11,19H,5-7,16H2,1-4H3/t10-,11+
InChIKeyQDHKRUHRGPKPQX-PHIMTYICSA-N
XLogP2.29
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone (CID 104968886) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone is CC(C)c1ncc(NN)c(C(=O)N2[C@H](C)CCC[C@@H]2C)n1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
The InChIKey is QDHKRUHRGPKPQX-PHIMTYICSA-N. The full InChI is InChI=1S/C15H25N5O/c1-9(2)14-17-8-12(19-16)13(18-14)15(21)20-10(3)6-5-7-11(20)4/h8-11,19H,5-7,16H2,1-4H3/t10-,11+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(5-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 104968886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).