4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile

C17H12N4O — CID 154859866

IUPAC4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H12N4O/c1-12-9-16(22-15-6-4-13(10-18)5-7-15)21-17(20-12)14-3-2-8-19-11-14/h2-9,11H,1H3
InChIKeyVAAZANJRHJKISS-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.51
Rot. Bonds3

About 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile

4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 154859866) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile
PubChem CID154859866
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile
SMILESCc1cc(Oc2ccc(C#N)cc2)nc(-c2cccnc2)n1
InChIInChI=1S/C17H12N4O/c1-12-9-16(22-15-6-4-13(10-18)5-7-15)21-17(20-12)14-3-2-8-19-11-14/h2-9,11H,1H3
InChIKeyVAAZANJRHJKISS-UHFFFAOYSA-N
XLogP3.51
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4-[(2-bromo-6-methyl-3-pyridinyl)oxy]-6-methyl-2-pyridin-3-ylpyrimidine
CID 133476896
3-fluoro-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 133376836
3-[1-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333100
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
4-[10-[4-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]benzonitrile
CID 171588857
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 105368203
4-(6-methylpyridazin-3-yl)oxybenzonitrile
CID 176899831
1-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]indazole
CID 138038691
4-(4-fluorophenoxy)-6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 18356785
4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
CID 71274618

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile (CID 154859866) is 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile is Cc1cc(Oc2ccc(C#N)cc2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is VAAZANJRHJKISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-12-9-16(22-15-6-4-13(10-18)5-7-15)21-17(20-12)14-3-2-8-19-11-14/h2-9,11H,1H3.
What are the key properties of 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile?
4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 288.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 154859866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).