5-iodo-N-naphthalen-2-ylpyrimidin-2-amine

C14H10IN3 — CID 116648943

IUPAC5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
SMILESIc1cnc(Nc2ccc3ccccc3c2)nc1
InChIInChI=1S/C14H10IN3/c15-12-8-16-14(17-9-12)18-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,16,17,18)
InChIKeyIVGWMNYXFDWEHP-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.98
Rot. Bonds2

About 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine

5-iodo-N-naphthalen-2-ylpyrimidin-2-amine (PubChem CID 116648943) has the molecular formula C14H10IN3 and a molecular weight of 347.16 g/mol. Its IUPAC name is 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
PubChem CID116648943
Molecular FormulaC14H10IN3
Molecular Weight347.16 g/mol
Exact Mass346.99
IUPAC Name5-iodo-N-naphthalen-2-ylpyrimidin-2-amine
SMILESIc1cnc(Nc2ccc3ccccc3c2)nc1
InChIInChI=1S/C14H10IN3/c15-12-8-16-14(17-9-12)18-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,16,17,18)
InChIKeyIVGWMNYXFDWEHP-UHFFFAOYSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.98
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-N-naphthalen-2-ylpyrimidin-2-amine?
The IUPAC name of 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine (CID 116648943) is 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine is Ic1cnc(Nc2ccc3ccccc3c2)nc1.
What is the InChIKey of 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine?
The InChIKey is IVGWMNYXFDWEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3/c15-12-8-16-14(17-9-12)18-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,16,17,18).
What are the key properties of 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine?
5-iodo-N-naphthalen-2-ylpyrimidin-2-amine has a molecular weight of 347.16 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-naphthalen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 116648943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).