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

C11H18IN5O2 — CID 136900968

IUPACN'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN5O2/c1-7(2)5-17(4-3-8(13)16-19)10-9(12)11(18)15-6-14-10/h6-7,19H,3-5H2,1-2H3,(H2,13,16)(H,14,15,18)
InChIKeyMNCGGAJHUDBWFJ-UHFFFAOYSA-N
MW379.20 g/mol
LogP0.97
Rot. Bonds6

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

N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide (PubChem CID 136900968) has the molecular formula C11H18IN5O2 and a molecular weight of 379.20 g/mol. Its IUPAC name is N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide
PubChem CID136900968
Molecular FormulaC11H18IN5O2
Molecular Weight379.20 g/mol
Exact Mass379.05
IUPAC NameN'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN5O2/c1-7(2)5-17(4-3-8(13)16-19)10-9(12)11(18)15-6-14-10/h6-7,19H,3-5H2,1-2H3,(H2,13,16)(H,14,15,18)
InChIKeyMNCGGAJHUDBWFJ-UHFFFAOYSA-N
XLogP0.97
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 50.97
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)-(2-methylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide (CID 136900968) is N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide is CC(C)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)-(2-methylpropyl)amino]propanimidamide?
The InChIKey is MNCGGAJHUDBWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN5O2/c1-7(2)5-17(4-3-8(13)16-19)10-9(12)11(18)15-6-14-10/h6-7,19H,3-5H2,1-2H3,(H2,13,16)(H,14,15,18).
What are the key properties of N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide?
N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide has a molecular weight of 379.20 g/mol, XLogP of 0.97, 6 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)-(2-methylpropyl)amino]propanimidamide is sourced from PubChem (CID 136900968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).