N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide

C11H19N5O2 — CID 114266326

IUPACN'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
SMILESCc1nccc(CNCCOC(C)/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O2/c1-8(11(12)16-17)18-6-5-13-7-10-3-4-14-9(2)15-10/h3-4,8,13,17H,5-7H2,1-2H3,(H2,12,16)
InChIKeyYYKAFMUFYSZGSX-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.03
Rot. Bonds7

About N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide

N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide (PubChem CID 114266326) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
PubChem CID114266326
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
SMILESCc1nccc(CNCCOC(C)/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O2/c1-8(11(12)16-17)18-6-5-13-7-10-3-4-14-9(2)15-10/h3-4,8,13,17H,5-7H2,1-2H3,(H2,12,16)
InChIKeyYYKAFMUFYSZGSX-UHFFFAOYSA-N
XLogP0.03
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanimidamide
CID 77030166
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrimidin-4-yl)methyl]pentanamide
CID 76927158
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114465996
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
2-but-3-enoxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 106397557
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
CID 62747506
N-[(2-methylpyrimidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723335
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide (CID 114266326) is N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide is Cc1nccc(CNCCOC(C)/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide?
The InChIKey is YYKAFMUFYSZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(11(12)16-17)18-6-5-13-7-10-3-4-14-9(2)15-10/h3-4,8,13,17H,5-7H2,1-2H3,(H2,12,16).
What are the key properties of N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide?
N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide has a molecular weight of 253.31 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide is sourced from PubChem (CID 114266326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).