N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide

C7H10N4O2 — CID 83875998

IUPACN'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide
SMILESCOc1cncnc1C/C(N)=N/O
InChIInChI=1S/C7H10N4O2/c1-13-6-3-9-4-10-5(6)2-7(8)11-12/h3-4,12H,2H2,1H3,(H2,8,11)
InChIKeyNLUSBILEIYWXNY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.23
Rot. Bonds3

About N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide

N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide (PubChem CID 83875998) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide
PubChem CID83875998
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide
SMILESCOc1cncnc1C/C(N)=N/O
InChIInChI=1S/C7H10N4O2/c1-13-6-3-9-4-10-5(6)2-7(8)11-12/h3-4,12H,2H2,1H3,(H2,8,11)
InChIKeyNLUSBILEIYWXNY-UHFFFAOYSA-N
XLogP-0.23
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.23
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-[(5-methoxypyrimidin-4-yl)amino]acetamide
CID 130543339
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
(5-ethoxypyrimidin-4-yl)methanamine
CID 176582308
N'-hydroxy-2-(4-methoxy-2-pyridinyl)ethanimidamide
CID 83875685
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
N-(2-chloroethyl)-5-methoxypyrimidin-4-amine
CID 130543427
N'-hydroxy-2-[2-(methoxymethyl)phenyl]ethanimidamide
CID 83878809
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3-methoxy-N-propan-2-ylpyridine-4-carboxamide
CID 105064326
2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
CID 83879809
N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 130543368
N'-hydroxy-2-(4-methyl-3-pyridinyl)ethanimidamide
CID 83873294

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide (CID 83875998) is N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide is COc1cncnc1C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide?
The InChIKey is NLUSBILEIYWXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-13-6-3-9-4-10-5(6)2-7(8)11-12/h3-4,12H,2H2,1H3,(H2,8,11).
What are the key properties of N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide?
N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide has a molecular weight of 182.18 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(5-methoxypyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 83875998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).