N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide

C10H15N5O2 — CID 136949020

IUPACN'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
SMILESCN1CCC(Oc2nccc(/C(N)=N/O)n2)C1
InChIInChI=1S/C10H15N5O2/c1-15-5-3-7(6-15)17-10-12-4-2-8(13-10)9(11)14-16/h2,4,7,16H,3,5-6H2,1H3,(H2,11,14)
InChIKeyIZOIWQKKIXGNOJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.35
Rot. Bonds3

About N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide

N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide (PubChem CID 136949020) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
PubChem CID136949020
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
SMILESCN1CCC(Oc2nccc(/C(N)=N/O)n2)C1
InChIInChI=1S/C10H15N5O2/c1-15-5-3-7(6-15)17-10-12-4-2-8(13-10)9(11)14-16/h2,4,7,16H,3,5-6H2,1H3,(H2,11,14)
InChIKeyIZOIWQKKIXGNOJ-UHFFFAOYSA-N
XLogP-0.35
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide (CID 136949020) is N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide is CN1CCC(Oc2nccc(/C(N)=N/O)n2)C1.
What is the InChIKey of N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide?
The InChIKey is IZOIWQKKIXGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-5-3-7(6-15)17-10-12-4-2-8(13-10)9(11)14-16/h2,4,7,16H,3,5-6H2,1H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide?
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide has a molecular weight of 237.26 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136949020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).