2-naphthalen-1-yloxypyrimidine-4-carbonitrile

C15H9N3O — CID 107545702

IUPAC2-naphthalen-1-yloxypyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C15H9N3O/c16-10-12-8-9-17-15(18-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H
InChIKeyMUIBJPZUJCWAQD-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.29
Rot. Bonds2

About 2-naphthalen-1-yloxypyrimidine-4-carbonitrile

2-naphthalen-1-yloxypyrimidine-4-carbonitrile (PubChem CID 107545702) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-naphthalen-1-yloxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yloxypyrimidine-4-carbonitrile
PubChem CID107545702
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name2-naphthalen-1-yloxypyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C15H9N3O/c16-10-12-8-9-17-15(18-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H
InChIKeyMUIBJPZUJCWAQD-UHFFFAOYSA-N
XLogP3.29
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile
CID 107552899
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
3,4,5,6-tetranaphthalen-1-yloxybenzene-1,2-dicarbonitrile
CID 22104061
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
CID 107545734
6-quinolin-5-yloxypyridine-2-carbonitrile
CID 103044723
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
CID 107546006
2-naphthalen-1-yloxy-4-(trichloromethyl)-1,3,5-triazine
CID 150914952

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxypyrimidine-4-carbonitrile?
The IUPAC name of 2-naphthalen-1-yloxypyrimidine-4-carbonitrile (CID 107545702) is 2-naphthalen-1-yloxypyrimidine-4-carbonitrile.
What is the SMILES notation for 2-naphthalen-1-yloxypyrimidine-4-carbonitrile?
The canonical SMILES for 2-naphthalen-1-yloxypyrimidine-4-carbonitrile is N#Cc1ccnc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 2-naphthalen-1-yloxypyrimidine-4-carbonitrile?
The InChIKey is MUIBJPZUJCWAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-10-12-8-9-17-15(18-12)19-14-7-3-5-11-4-1-2-6-13(11)14/h1-9H.
What are the key properties of 2-naphthalen-1-yloxypyrimidine-4-carbonitrile?
2-naphthalen-1-yloxypyrimidine-4-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107545702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).