3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H19N5O — CID 54992230

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCc1cc(C)nc(N(C)CC(C)/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O/c1-7(10(12)15-17)6-16(4)11-13-8(2)5-9(3)14-11/h5,7,17H,6H2,1-4H3,(H2,12,15)
InChIKeyYFZULOAXSYPRBE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.91
Rot. Bonds4

About 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 54992230) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID54992230
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCc1cc(C)nc(N(C)CC(C)/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O/c1-7(10(12)15-17)6-16(4)11-13-8(2)5-9(3)14-11/h5,7,17H,6H2,1-4H3,(H2,12,15)
InChIKeyYFZULOAXSYPRBE-UHFFFAOYSA-N
XLogP0.91
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 54992230) is 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is Cc1cc(C)nc(N(C)CC(C)/C(N)=N/O)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is YFZULOAXSYPRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(10(12)15-17)6-16(4)11-13-8(2)5-9(3)14-11/h5,7,17H,6H2,1-4H3,(H2,12,15).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 237.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 54992230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).