2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C7H9IN4O3 — CID 136849667

IUPAC2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H9IN4O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1H2,(H2,9,14)(H2,10,11,12,15)
InChIKeyOHSDEXHDZOMROQ-UHFFFAOYSA-N
MW324.08 g/mol
LogP-1.37
Rot. Bonds4

About 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide

2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136849667) has the molecular formula C7H9IN4O3 and a molecular weight of 324.08 g/mol. Its IUPAC name is 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136849667
Molecular FormulaC7H9IN4O3
Molecular Weight324.08 g/mol
Exact Mass323.97
IUPAC Name2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESNC(=O)C(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H9IN4O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1H2,(H2,9,14)(H2,10,11,12,15)
InChIKeyOHSDEXHDZOMROQ-UHFFFAOYSA-N
XLogP-1.37
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.08
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136790785
2-hydroxy-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849660
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849661
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849662
2-hydroxy-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136849666
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 136849668
4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956024
4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956075
4-(2,3-dihydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956912
4-(2-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136957160
4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957726
4-[2-(2-hydroxypropylamino)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979111

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136849667) is 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is NC(=O)C(O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is OHSDEXHDZOMROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN4O3/c8-4-6(11-2-12-7(4)15)10-1-3(13)5(9)14/h2-3,13H,1H2,(H2,9,14)(H2,10,11,12,15).
What are the key properties of 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 324.08 g/mol, XLogP of -1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136849667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).