2-naphthalen-1-ylpyrimidine

C14H10N2 — CID 22489008

IUPAC2-naphthalen-1-ylpyrimidine
SMILESc1cnc(-c2cccc3ccccc23)nc1
InChIInChI=1S/C14H10N2/c1-2-7-12-11(5-1)6-3-8-13(12)14-15-9-4-10-16-14/h1-10H
InChIKeyACTFEOAZWWJXLT-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.30
Rot. Bonds1

About 2-naphthalen-1-ylpyrimidine

2-naphthalen-1-ylpyrimidine (PubChem CID 22489008) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-naphthalen-1-ylpyrimidine
PubChem CID22489008
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name2-naphthalen-1-ylpyrimidine
SMILESc1cnc(-c2cccc3ccccc23)nc1
InChIInChI=1S/C14H10N2/c1-2-7-12-11(5-1)6-3-8-13(12)14-15-9-4-10-16-14/h1-10H
InChIKeyACTFEOAZWWJXLT-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 2-naphthalen-1-ylpyrimidine?
The IUPAC name of 2-naphthalen-1-ylpyrimidine (CID 22489008) is 2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 2-naphthalen-1-ylpyrimidine is c1cnc(-c2cccc3ccccc23)nc1.
What is the InChIKey of 2-naphthalen-1-ylpyrimidine?
The InChIKey is ACTFEOAZWWJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-7-12-11(5-1)6-3-8-13(12)14-15-9-4-10-16-14/h1-10H.
What are the key properties of 2-naphthalen-1-ylpyrimidine?
2-naphthalen-1-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 2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 22489008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).