4-naphthalen-2-ylpyrimidine

C14H10N2 — CID 3301513

IUPAC4-naphthalen-2-ylpyrimidine
SMILESc1ccc2cc(-c3ccncn3)ccc2c1
InChIInChI=1S/C14H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-7-8-15-10-16-14/h1-10H
InChIKeyGQTQWUPEUCZLBI-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.30
Rot. Bonds1

About 4-naphthalen-2-ylpyrimidine

4-naphthalen-2-ylpyrimidine (PubChem CID 3301513) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-ylpyrimidine
PubChem CID3301513
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name4-naphthalen-2-ylpyrimidine
SMILESc1ccc2cc(-c3ccncn3)ccc2c1
InChIInChI=1S/C14H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-7-8-15-10-16-14/h1-10H
InChIKeyGQTQWUPEUCZLBI-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylpyrimidine?
The IUPAC name of 4-naphthalen-2-ylpyrimidine (CID 3301513) is 4-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-naphthalen-2-ylpyrimidine?
The canonical SMILES for 4-naphthalen-2-ylpyrimidine is c1ccc2cc(-c3ccncn3)ccc2c1.
What is the InChIKey of 4-naphthalen-2-ylpyrimidine?
The InChIKey is GQTQWUPEUCZLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-7-8-15-10-16-14/h1-10H.
What are the key properties of 4-naphthalen-2-ylpyrimidine?
4-naphthalen-2-ylpyrimidine has a molecular weight of 206.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 3301513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).