2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide

C8H12N4O2 — CID 83879809

IUPAC2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
SMILESCCOc1cc(C/C(N)=N/O)ncn1
InChIInChI=1S/C8H12N4O2/c1-2-14-8-4-6(10-5-11-8)3-7(9)12-13/h4-5,13H,2-3H2,1H3,(H2,9,12)
InChIKeyJLWJLODBNDZEMK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.16
Rot. Bonds4

About 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide

2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide (PubChem CID 83879809) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
PubChem CID83879809
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide
SMILESCCOc1cc(C/C(N)=N/O)ncn1
InChIInChI=1S/C8H12N4O2/c1-2-14-8-4-6(10-5-11-8)3-7(9)12-13/h4-5,13H,2-3H2,1H3,(H2,9,12)
InChIKeyJLWJLODBNDZEMK-UHFFFAOYSA-N
XLogP0.16
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.16
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-(6-ethoxypyrimidin-4-yl)ethanimidamide
CID 83875449
2-(6-ethoxypyrimidin-4-yl)acetaldehyde
CID 83873423
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
6-ethoxypyrimidin-4-amine;hydrochloride
CID 169439907
N'-hydroxy-2-pyrimidin-4-ylethanimidamide
CID 83872565
2-(3-ethoxy-4-hydroxyphenyl)-N'-hydroxyethanimidamide
CID 59395610
2-amino-2-(6-ethoxypyrimidin-4-yl)acetic acid
CID 83880025
4-(2-bromo-2-cyclopropylethyl)-6-ethoxypyrimidine
CID 66333376
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
ethyl 3-(2,6-diethoxypyrimidin-4-yl)-2-hydroxyiminopropanoate
CID 6813741
4-azido-6-ethoxypyrimidine
CID 80583715

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide (CID 83879809) is 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide is CCOc1cc(C/C(N)=N/O)ncn1.
What is the InChIKey of 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide?
The InChIKey is JLWJLODBNDZEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-14-8-4-6(10-5-11-8)3-7(9)12-13/h4-5,13H,2-3H2,1H3,(H2,9,12).
What are the key properties of 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide?
2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide has a molecular weight of 196.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxypyrimidin-4-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 83879809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).