3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one

C6H11N5O — CID 13381747

IUPAC3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one
SMILESCc1nc(NN)n(N)c(=O)c1C
InChIInChI=1S/C6H11N5O/c1-3-4(2)9-6(10-7)11(8)5(3)12/h7-8H2,1-2H3,(H,9,10)
InChIKeyZPLBEVBNFZACBF-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.14
Rot. Bonds1

About 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one

3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one (PubChem CID 13381747) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one
PubChem CID13381747
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one
SMILESCc1nc(NN)n(N)c(=O)c1C
InChIInChI=1S/C6H11N5O/c1-3-4(2)9-6(10-7)11(8)5(3)12/h7-8H2,1-2H3,(H,9,10)
InChIKeyZPLBEVBNFZACBF-UHFFFAOYSA-N
XLogP-1.14
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.14
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 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one (CID 13381747) is 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one is Cc1nc(NN)n(N)c(=O)c1C.
What is the InChIKey of 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one?
The InChIKey is ZPLBEVBNFZACBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-3-4(2)9-6(10-7)11(8)5(3)12/h7-8H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one?
3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one has a molecular weight of 169.19 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydrazinyl-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 13381747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).