2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one

C10H16N6O — CID 174256114

IUPAC2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one
SMILES[H]/N=N/n1c(N)nc(CN2CCCCC2)cc1=O
InChIInChI=1S/C10H16N6O/c11-10-13-8(6-9(17)16(10)14-12)7-15-4-2-1-3-5-15/h6,12H,1-5,7H2,(H2,11,13)/b14-12+
InChIKeyYYLRAXLLHDQPFY-WYMLVPIESA-N
MW236.28 g/mol
LogP0.61
Rot. Bonds3

About 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one

2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one (PubChem CID 174256114) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one
PubChem CID174256114
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one
SMILES[H]/N=N/n1c(N)nc(CN2CCCCC2)cc1=O
InChIInChI=1S/C10H16N6O/c11-10-13-8(6-9(17)16(10)14-12)7-15-4-2-1-3-5-15/h6,12H,1-5,7H2,(H2,11,13)/b14-12+
InChIKeyYYLRAXLLHDQPFY-WYMLVPIESA-N
XLogP0.61
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one (CID 174256114) is 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one is [H]/N=N/n1c(N)nc(CN2CCCCC2)cc1=O.
What is the InChIKey of 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one?
The InChIKey is YYLRAXLLHDQPFY-WYMLVPIESA-N. The full InChI is InChI=1S/C10H16N6O/c11-10-13-8(6-9(17)16(10)14-12)7-15-4-2-1-3-5-15/h6,12H,1-5,7H2,(H2,11,13)/b14-12+.
What are the key properties of 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one?
2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one has a molecular weight of 236.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-diazenyl-6-(piperidin-1-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 174256114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).