N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide

C8H12N4O2 — CID 83879802

IUPACN'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide
SMILESCC(C)Oc1ncc(/C(N)=N\O)cn1
InChIInChI=1S/C8H12N4O2/c1-5(2)14-8-10-3-6(4-11-8)7(9)12-13/h3-5,13H,1-2H3,(H2,9,12)
InChIKeyVIEDHWHNCOOLNH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.36
Rot. Bonds3

About N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide

N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide (PubChem CID 83879802) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide
PubChem CID83879802
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide
SMILESCC(C)Oc1ncc(/C(N)=N\O)cn1
InChIInChI=1S/C8H12N4O2/c1-5(2)14-8-10-3-6(4-11-8)7(9)12-13/h3-5,13H,1-2H3,(H2,9,12)
InChIKeyVIEDHWHNCOOLNH-UHFFFAOYSA-N
XLogP0.36
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.36
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

N'-hydroxy-2-methylpyrimidine-5-carboximidamide
CID 177352508
2-(2-propan-2-yloxypyrimidin-5-yl)ethanimidamide
CID 83878947
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
3-chloro-N'-hydroxy-4-propan-2-yloxybenzenecarboximidamide
CID 59556565
N'-hydroxy-5-methyl-6-(2-methylpropyl)pyridine-3-carboximidamide
CID 59392485
5-amino-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 178051191
N'-hydroxy-6-[4-[5-[(E)-N'-hydroxycarbamimidoyl]-2-pyridinyl]phenyl]pyridine-3-carboximidamide;hydrochloride
CID 135407885
2-(2-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83879723
6-[ethyl(propan-2-yl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 43265833
5-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 77005423
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
6-propan-2-yloxypyridine-3-carbothioamide
CID 24703491

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide?
The IUPAC name of N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide (CID 83879802) is N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide?
The canonical SMILES for N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide is CC(C)Oc1ncc(/C(N)=N\O)cn1.
What is the InChIKey of N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide?
The InChIKey is VIEDHWHNCOOLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(2)14-8-10-3-6(4-11-8)7(9)12-13/h3-5,13H,1-2H3,(H2,9,12).
What are the key properties of N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide?
N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide has a molecular weight of 196.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-propan-2-yloxypyrimidine-5-carboximidamide is sourced from PubChem (CID 83879802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).