4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one

C7H10IN3O2 — CID 136956075

IUPAC4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13)
InChIKeyIOWRTQDFKXOUPH-UHFFFAOYSA-N
MW295.08 g/mol
LogP0.17
Rot. Bonds3

About 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one

4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956075) has the molecular formula C7H10IN3O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956075
Molecular FormulaC7H10IN3O2
Molecular Weight295.08 g/mol
Exact Mass294.98
IUPAC Name4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13)
InChIKeyIOWRTQDFKXOUPH-UHFFFAOYSA-N
XLogP0.17
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956075) is 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one is CC(O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IOWRTQDFKXOUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O2/c1-4(12)2-9-6-5(8)7(13)11-3-10-6/h3-4,12H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 295.08 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).