2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide

C11H17N5O — CID 136906855

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC1(C)CCN(c2nccc(/C(N)=N/O)n2)C1
InChIInChI=1S/C11H17N5O/c1-11(2)4-6-16(7-11)10-13-5-3-8(14-10)9(12)15-17/h3,5,17H,4,6-7H2,1-2H3,(H2,12,15)
InChIKeyWAGKGZJFMALOFS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.81
Rot. Bonds2

About 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide

2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906855) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906855
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC1(C)CCN(c2nccc(/C(N)=N/O)n2)C1
InChIInChI=1S/C11H17N5O/c1-11(2)4-6-16(7-11)10-13-5-3-8(14-10)9(12)15-17/h3,5,17H,4,6-7H2,1-2H3,(H2,12,15)
InChIKeyWAGKGZJFMALOFS-UHFFFAOYSA-N
XLogP0.81
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.81
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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Related Compounds

2-(2,2-dimethylthiomorpholin-4-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906933
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906728
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
5-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136990631
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550754
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-(2,2-dimethylmorpholin-4-yl)pyrimidine-4-carboxylic acid
CID 107553663
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906851

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide (CID 136906855) is 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide is CC1(C)CCN(c2nccc(/C(N)=N/O)n2)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is WAGKGZJFMALOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2)4-6-16(7-11)10-13-5-3-8(14-10)9(12)15-17/h3,5,17H,4,6-7H2,1-2H3,(H2,12,15).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).