2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C13H23N5O — CID 136906614

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C13H23N5O/c1-8-7-10(11(14)17-19)16-12(15-8)18(6)9(2)13(3,4)5/h7,9,19H,1-6H3,(H2,14,17)
InChIKeyJDPLISASSPIRQA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.75
Rot. Bonds3

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906614) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136906614
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C13H23N5O/c1-8-7-10(11(14)17-19)16-12(15-8)18(6)9(2)13(3,4)5/h7,9,19H,1-6H3,(H2,14,17)
InChIKeyJDPLISASSPIRQA-UHFFFAOYSA-N
XLogP1.75
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.75
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 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136906614) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N(C)C(C)C(C)(C)C)n1.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is JDPLISASSPIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8-7-10(11(14)17-19)16-12(15-8)18(6)9(2)13(3,4)5/h7,9,19H,1-6H3,(H2,14,17).
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).