4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide

C9H12N4O2 — CID 83883677

IUPAC4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide
SMILESCOc1ncc(/C(N)=N\O)c(C2CC2)n1
InChIInChI=1S/C9H12N4O2/c1-15-9-11-4-6(8(10)13-14)7(12-9)5-2-3-5/h4-5,14H,2-3H2,1H3,(H2,10,13)
InChIKeyBQBYSJMLAZZGLV-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.46
Rot. Bonds3

About 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide

4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide (PubChem CID 83883677) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide
PubChem CID83883677
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide
SMILESCOc1ncc(/C(N)=N\O)c(C2CC2)n1
InChIInChI=1S/C9H12N4O2/c1-15-9-11-4-6(8(10)13-14)7(12-9)5-2-3-5/h4-5,14H,2-3H2,1H3,(H2,10,13)
InChIKeyBQBYSJMLAZZGLV-UHFFFAOYSA-N
XLogP0.46
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.46
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 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide?
The IUPAC name of 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide (CID 83883677) is 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide.
What is the SMILES notation for 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide?
The canonical SMILES for 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide is COc1ncc(/C(N)=N\O)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide?
The InChIKey is BQBYSJMLAZZGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-15-9-11-4-6(8(10)13-14)7(12-9)5-2-3-5/h4-5,14H,2-3H2,1H3,(H2,10,13).
What are the key properties of 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide?
4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide has a molecular weight of 208.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N'-hydroxy-2-methoxypyrimidine-5-carboximidamide is sourced from PubChem (CID 83883677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).