2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide

C11H17N5O — CID 136906427

IUPAC2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C1CC1)N(C)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C11H17N5O/c1-7(8-3-4-8)16(2)11-13-6-5-9(14-11)10(12)15-17/h5-8,17H,3-4H2,1-2H3,(H2,12,15)
InChIKeyWXWTWSBCDJCFSG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.81
Rot. Bonds4

About 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide

2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906427) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906427
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC(C1CC1)N(C)c1nccc(/C(N)=N/O)n1
InChIInChI=1S/C11H17N5O/c1-7(8-3-4-8)16(2)11-13-6-5-9(14-11)10(12)15-17/h5-8,17H,3-4H2,1-2H3,(H2,12,15)
InChIKeyWXWTWSBCDJCFSG-UHFFFAOYSA-N
XLogP0.81
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136986723
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906598
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
CID 136986741
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906760
N'-hydroxy-2-[pentyl(propan-2-yl)amino]pyrimidine-4-carboximidamide
CID 136906590
2-[benzyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906340
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
CID 136907373
2-[butyl(ethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906348
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
2-(N-ethyl-4-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906661
2-[bis(2-ethoxyethyl)amino]-N'-hydroxypyrimidine-4-carboximidamide
CID 136906893

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide (CID 136906427) is 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide is CC(C1CC1)N(C)c1nccc(/C(N)=N/O)n1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is WXWTWSBCDJCFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7(8-3-4-8)16(2)11-13-6-5-9(14-11)10(12)15-17/h5-8,17H,3-4H2,1-2H3,(H2,12,15).
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide?
2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).