3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide

C10H16IN5O2 — CID 136900957

IUPAC3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN5O2/c1-3-16(4-6(2)8(12)15-18)9-7(11)10(17)14-5-13-9/h5-6,18H,3-4H2,1-2H3,(H2,12,15)(H,13,14,17)
InChIKeyQJRYRCHTVDOFNX-UHFFFAOYSA-N
MW365.18 g/mol
LogP0.58
Rot. Bonds5

About 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 136900957) has the molecular formula C10H16IN5O2 and a molecular weight of 365.18 g/mol. Its IUPAC name is 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID136900957
Molecular FormulaC10H16IN5O2
Molecular Weight365.18 g/mol
Exact Mass365.03
IUPAC Name3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN5O2/c1-3-16(4-6(2)8(12)15-18)9-7(11)10(17)14-5-13-9/h5-6,18H,3-4H2,1-2H3,(H2,12,15)(H,13,14,17)
InChIKeyQJRYRCHTVDOFNX-UHFFFAOYSA-N
XLogP0.58
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 50.58
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 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 136900957) is 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)c1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is QJRYRCHTVDOFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN5O2/c1-3-16(4-6(2)8(12)15-18)9-7(11)10(17)14-5-13-9/h5-6,18H,3-4H2,1-2H3,(H2,12,15)(H,13,14,17).
What are the key properties of 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 365.18 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 136900957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).