N'-hydroxy-2-pyrimidin-4-ylethanimidamide

C6H8N4O — CID 83872565

IUPACN'-hydroxy-2-pyrimidin-4-ylethanimidamide
SMILESN/C(Cc1ccncn1)=N\O
InChIInChI=1S/C6H8N4O/c7-6(10-11)3-5-1-2-8-4-9-5/h1-2,4,11H,3H2,(H2,7,10)
InChIKeyUEHGLJGHJMIZCL-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.23
Rot. Bonds2

About N'-hydroxy-2-pyrimidin-4-ylethanimidamide

N'-hydroxy-2-pyrimidin-4-ylethanimidamide (PubChem CID 83872565) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N'-hydroxy-2-pyrimidin-4-ylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-pyrimidin-4-ylethanimidamide
PubChem CID83872565
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN'-hydroxy-2-pyrimidin-4-ylethanimidamide
SMILESN/C(Cc1ccncn1)=N\O
InChIInChI=1S/C6H8N4O/c7-6(10-11)3-5-1-2-8-4-9-5/h1-2,4,11H,3H2,(H2,7,10)
InChIKeyUEHGLJGHJMIZCL-UHFFFAOYSA-N
XLogP-0.23
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-tert-Butylpyrimidin-2-amine
CID 12450631
2-(Pyrimidin-4-yl)acetonitrile
CID 14169572
4-Cyclopropylpyrimidin-2-amine
CID 3299593
2-Chloro-4-ethylpyrimidine
CID 15783026
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
4-Isobutylpyrimidine
CID 565104
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
4-(Propan-2-yl)pyrimidin-2-amine
CID 14639241
6-(Propan-2-yl)pyrimidin-4-amine
CID 21050418

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-pyrimidin-4-ylethanimidamide?
The IUPAC name of N'-hydroxy-2-pyrimidin-4-ylethanimidamide (CID 83872565) is N'-hydroxy-2-pyrimidin-4-ylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-pyrimidin-4-ylethanimidamide?
The canonical SMILES for N'-hydroxy-2-pyrimidin-4-ylethanimidamide is N/C(Cc1ccncn1)=N\O.
What is the InChIKey of N'-hydroxy-2-pyrimidin-4-ylethanimidamide?
The InChIKey is UEHGLJGHJMIZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-6(10-11)3-5-1-2-8-4-9-5/h1-2,4,11H,3H2,(H2,7,10).
What are the key properties of N'-hydroxy-2-pyrimidin-4-ylethanimidamide?
N'-hydroxy-2-pyrimidin-4-ylethanimidamide has a molecular weight of 152.16 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-pyrimidin-4-ylethanimidamide is sourced from PubChem (CID 83872565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).