5-(6-methoxynaphthalen-2-yl)pyrimidine

C15H12N2O — CID 11586722

IUPAC5-(6-methoxynaphthalen-2-yl)pyrimidine
SMILESCOc1ccc2cc(-c3cncnc3)ccc2c1
InChIInChI=1S/C15H12N2O/c1-18-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16-10-17-9-14/h2-10H,1H3
InChIKeyNTAKRPRPHWFEKU-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.31
Rot. Bonds2

About 5-(6-methoxynaphthalen-2-yl)pyrimidine

5-(6-methoxynaphthalen-2-yl)pyrimidine (PubChem CID 11586722) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)pyrimidine
PubChem CID11586722
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name5-(6-methoxynaphthalen-2-yl)pyrimidine
SMILESCOc1ccc2cc(-c3cncnc3)ccc2c1
InChIInChI=1S/C15H12N2O/c1-18-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16-10-17-9-14/h2-10H,1H3
InChIKeyNTAKRPRPHWFEKU-UHFFFAOYSA-N
XLogP3.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)pyrimidine?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)pyrimidine (CID 11586722) is 5-(6-methoxynaphthalen-2-yl)pyrimidine.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)pyrimidine?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)pyrimidine is COc1ccc2cc(-c3cncnc3)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)pyrimidine?
The InChIKey is NTAKRPRPHWFEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-18-15-5-4-11-6-12(2-3-13(11)7-15)14-8-16-10-17-9-14/h2-10H,1H3.
What are the key properties of 5-(6-methoxynaphthalen-2-yl)pyrimidine?
5-(6-methoxynaphthalen-2-yl)pyrimidine has a molecular weight of 236.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)pyrimidine is sourced from PubChem (CID 11586722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).