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

C6H8IN3O2 — CID 136956024

IUPAC4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCO)c1I
InChIInChI=1S/C6H8IN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12)
InChIKeyOKXKCBDMABIANG-UHFFFAOYSA-N
MW281.05 g/mol
LogP-0.22
Rot. Bonds3

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

4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956024) has the molecular formula C6H8IN3O2 and a molecular weight of 281.05 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956024
Molecular FormulaC6H8IN3O2
Molecular Weight281.05 g/mol
Exact Mass280.97
IUPAC Name4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCO)c1I
InChIInChI=1S/C6H8IN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12)
InChIKeyOKXKCBDMABIANG-UHFFFAOYSA-N
XLogP-0.22
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 5-0.22
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-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956024) is 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCO)c1I.
What is the InChIKey of 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OKXKCBDMABIANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3O2/c7-4-5(8-1-2-11)9-3-10-6(4)12/h3,11H,1-2H2,(H2,8,9,10,12).
What are the key properties of 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 281.05 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).