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

C11H19N5O — CID 55175699

IUPAC3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
SMILESCc1cc(N(C)C(C)C/C(N)=N/O)nc(C)n1
InChIInChI=1S/C11H19N5O/c1-7-5-11(14-9(3)13-7)16(4)8(2)6-10(12)15-17/h5,8,17H,6H2,1-4H3,(H2,12,15)
InChIKeyNKMVNYCOCRCARC-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.05
Rot. Bonds4

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

3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide (PubChem CID 55175699) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
PubChem CID55175699
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide
SMILESCc1cc(N(C)C(C)C/C(N)=N/O)nc(C)n1
InChIInChI=1S/C11H19N5O/c1-7-5-11(14-9(3)13-7)16(4)8(2)6-10(12)15-17/h5,8,17H,6H2,1-4H3,(H2,12,15)
InChIKeyNKMVNYCOCRCARC-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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'}

Analyze 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide (CID 55175699) is 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide is Cc1cc(N(C)C(C)C/C(N)=N/O)nc(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide?
The InChIKey is NKMVNYCOCRCARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-5-11(14-9(3)13-7)16(4)8(2)6-10(12)15-17/h5,8,17H,6H2,1-4H3,(H2,12,15).
What are the key properties of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide?
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide has a molecular weight of 237.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 55175699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).