2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine

C18H12N4 — CID 169050093

IUPAC2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
SMILESc1cnc(-c2cccc3c(-c4ncccn4)cccc23)nc1
InChIInChI=1S/C18H12N4/c1-5-13-14(15(7-1)17-19-9-3-10-20-17)6-2-8-16(13)18-21-11-4-12-22-18/h1-12H
InChIKeyLJHCZWSBHOVHGF-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.75
Rot. Bonds2

About 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine

2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine (PubChem CID 169050093) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
PubChem CID169050093
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
SMILESc1cnc(-c2cccc3c(-c4ncccn4)cccc23)nc1
InChIInChI=1S/C18H12N4/c1-5-13-14(15(7-1)17-19-9-3-10-20-17)6-2-8-16(13)18-21-11-4-12-22-18/h1-12H
InChIKeyLJHCZWSBHOVHGF-UHFFFAOYSA-N
XLogP3.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine (CID 169050093) is 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine is c1cnc(-c2cccc3c(-c4ncccn4)cccc23)nc1.
What is the InChIKey of 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine?
The InChIKey is LJHCZWSBHOVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4/c1-5-13-14(15(7-1)17-19-9-3-10-20-17)6-2-8-16(13)18-21-11-4-12-22-18/h1-12H.
What are the key properties of 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine?
2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine has a molecular weight of 284.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 169050093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).