4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one

C8H12IN3O3 — CID 136956547

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCOCCO)c1I
InChIInChI=1S/C8H12IN3O3/c9-6-7(11-5-12-8(6)14)10-1-3-15-4-2-13/h5,13H,1-4H2,(H2,10,11,12,14)
InChIKeyIOOIEPIBWRRDTD-UHFFFAOYSA-N
MW325.11 g/mol
LogP-0.20
Rot. Bonds6

About 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one

4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956547) has the molecular formula C8H12IN3O3 and a molecular weight of 325.11 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136956547
Molecular FormulaC8H12IN3O3
Molecular Weight325.11 g/mol
Exact Mass324.99
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCOCCO)c1I
InChIInChI=1S/C8H12IN3O3/c9-6-7(11-5-12-8(6)14)10-1-3-15-4-2-13/h5,13H,1-4H2,(H2,10,11,12,14)
InChIKeyIOOIEPIBWRRDTD-UHFFFAOYSA-N
XLogP-0.20
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one (CID 136956547) is 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCOCCO)c1I.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IOOIEPIBWRRDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O3/c9-6-7(11-5-12-8(6)14)10-1-3-15-4-2-13/h5,13H,1-4H2,(H2,10,11,12,14).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one?
4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 325.11 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).