5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one

C14H9IN2O2 — CID 114676042

IUPAC5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc3ccccc3c2)c1I
InChIInChI=1S/C14H9IN2O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17,18)
InChIKeyDBJFKZJLPSIZGA-UHFFFAOYSA-N
MW364.14 g/mol
LogP3.32
Rot. Bonds2

About 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one

5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one (PubChem CID 114676042) has the molecular formula C14H9IN2O2 and a molecular weight of 364.14 g/mol. Its IUPAC name is 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
PubChem CID114676042
Molecular FormulaC14H9IN2O2
Molecular Weight364.14 g/mol
Exact Mass363.97
IUPAC Name5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2ccc3ccccc3c2)c1I
InChIInChI=1S/C14H9IN2O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17,18)
InChIKeyDBJFKZJLPSIZGA-UHFFFAOYSA-N
XLogP3.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one (CID 114676042) is 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2ccc3ccccc3c2)c1I.
What is the InChIKey of 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
The InChIKey is DBJFKZJLPSIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-12-13(18)16-8-17-14(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,16,17,18).
What are the key properties of 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one?
5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one has a molecular weight of 364.14 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).