2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C12H19N5O — CID 136906910

IUPAC2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCCC1CCN(c2nc(C)cc(/C(N)=N/O)n2)C1
InChIInChI=1S/C12H19N5O/c1-3-9-4-5-17(7-9)12-14-8(2)6-10(15-12)11(13)16-18/h6,9,18H,3-5,7H2,1-2H3,(H2,13,16)
InChIKeyUYCYCIZTYXYKQQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.12
Rot. Bonds3

About 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906910) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136906910
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCCC1CCN(c2nc(C)cc(/C(N)=N/O)n2)C1
InChIInChI=1S/C12H19N5O/c1-3-9-4-5-17(7-9)12-14-8(2)6-10(15-12)11(13)16-18/h6,9,18H,3-5,7H2,1-2H3,(H2,13,16)
InChIKeyUYCYCIZTYXYKQQ-UHFFFAOYSA-N
XLogP1.12
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.12
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 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
CID 136906366
2-[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbothioamide
CID 107547420
[2-(3-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 113418483
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2-[1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 107547028
N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136906945
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907053
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906821
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 131938332

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136906910) is 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is CCC1CCN(c2nc(C)cc(/C(N)=N/O)n2)C1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is UYCYCIZTYXYKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-9-4-5-17(7-9)12-14-8(2)6-10(15-12)11(13)16-18/h6,9,18H,3-5,7H2,1-2H3,(H2,13,16).
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).