2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide

C13H20N4O2 — CID 136907373

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC1CCC(Oc2nccc(/C(N)=N/O)n2)CC1C
InChIInChI=1S/C13H20N4O2/c1-8-3-4-10(7-9(8)2)19-13-15-6-5-11(16-13)12(14)17-18/h5-6,8-10,18H,3-4,7H2,1-2H3,(H2,14,17)
InChIKeyKSRJUHUSENDSBL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.77
Rot. Bonds3

About 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide

2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136907373) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136907373
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide
SMILESCC1CCC(Oc2nccc(/C(N)=N/O)n2)CC1C
InChIInChI=1S/C13H20N4O2/c1-8-3-4-10(7-9(8)2)19-13-15-6-5-11(16-13)12(14)17-18/h5-6,8-10,18H,3-4,7H2,1-2H3,(H2,14,17)
InChIKeyKSRJUHUSENDSBL-UHFFFAOYSA-N
XLogP1.77
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.77
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 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide (CID 136907373) is 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide is CC1CCC(Oc2nccc(/C(N)=N/O)n2)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is KSRJUHUSENDSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-3-4-10(7-9(8)2)19-13-15-6-5-11(16-13)12(14)17-18/h5-6,8-10,18H,3-4,7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide?
2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136907373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).