N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide

C8H12IN5O2 — CID 136900955

IUPACN'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN5O2/c1-14(3-2-5(10)13-16)7-6(9)8(15)12-4-11-7/h4,16H,2-3H2,1H3,(H2,10,13)(H,11,12,15)
InChIKeyAPOUQYCSGWYIPG-UHFFFAOYSA-N
MW337.12 g/mol
LogP-0.05
Rot. Bonds4

About N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide

N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide (PubChem CID 136900955) has the molecular formula C8H12IN5O2 and a molecular weight of 337.12 g/mol. Its IUPAC name is N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide
PubChem CID136900955
Molecular FormulaC8H12IN5O2
Molecular Weight337.12 g/mol
Exact Mass337.00
IUPAC NameN'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide
SMILESCN(CCC(N)=NO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN5O2/c1-14(3-2-5(10)13-16)7-6(9)8(15)12-4-11-7/h4,16H,2-3H2,1H3,(H2,10,13)(H,11,12,15)
InChIKeyAPOUQYCSGWYIPG-UHFFFAOYSA-N
XLogP-0.05
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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': 'iodine', '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-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide (CID 136900955) is N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide is CN(CCC(N)=NO)c1nc[nH]c(=O)c1I.
What is the InChIKey of N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide?
The InChIKey is APOUQYCSGWYIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN5O2/c1-14(3-2-5(10)13-16)7-6(9)8(15)12-4-11-7/h4,16H,2-3H2,1H3,(H2,10,13)(H,11,12,15).
What are the key properties of N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide?
N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide has a molecular weight of 337.12 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide is sourced from PubChem (CID 136900955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).