N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide

C6H8N4O2 — CID 83873713

IUPACN'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide
SMILESCn1cncc(/C(N)=N\O)c1=O
InChIInChI=1S/C6H8N4O2/c1-10-3-8-2-4(6(10)11)5(7)9-12/h2-3,12H,1H3,(H2,7,9)
InChIKeyUUWCKANEACIODT-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.13
Rot. Bonds1

About N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide

N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide (PubChem CID 83873713) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide
PubChem CID83873713
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide
SMILESCn1cncc(/C(N)=N\O)c1=O
InChIInChI=1S/C6H8N4O2/c1-10-3-8-2-4(6(10)11)5(7)9-12/h2-3,12H,1H3,(H2,7,9)
InChIKeyUUWCKANEACIODT-UHFFFAOYSA-N
XLogP-1.13
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.13
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide?
The IUPAC name of N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide (CID 83873713) is N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide?
The canonical SMILES for N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide is Cn1cncc(/C(N)=N\O)c1=O.
What is the InChIKey of N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide?
The InChIKey is UUWCKANEACIODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-10-3-8-2-4(6(10)11)5(7)9-12/h2-3,12H,1H3,(H2,7,9).
What are the key properties of N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide?
N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide has a molecular weight of 168.16 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide is sourced from PubChem (CID 83873713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).