4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile

C13H10FN3O — CID 112755295

IUPAC4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(Oc2cccc(C)c2F)n1
InChIInChI=1S/C13H10FN3O/c1-8-4-3-5-11(12(8)14)18-13-10(6-15)7-16-9(2)17-13/h3-5,7H,1-2H3
InChIKeyYJUSRDOCLBZJKY-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.90
Rot. Bonds2

About 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile

4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile (PubChem CID 112755295) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile
PubChem CID112755295
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(Oc2cccc(C)c2F)n1
InChIInChI=1S/C13H10FN3O/c1-8-4-3-5-11(12(8)14)18-13-10(6-15)7-16-9(2)17-13/h3-5,7H,1-2H3
InChIKeyYJUSRDOCLBZJKY-UHFFFAOYSA-N
XLogP2.90
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-amino-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile
CID 112755953
[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol
CID 114215363
4-(3-bromophenoxy)-2-methylpyrimidine-5-carbonitrile
CID 112755249
4-tert-butylperoxy-2-methylpyrimidine-5-carbonitrile
CID 12677182
2-methyl-4-prop-2-ynoxypyrimidine-5-carbonitrile
CID 130541170
4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 107658030
2-(2-fluorophenoxy)-3-methylbenzonitrile
CID 107107441
3-bromo-4-(2-fluoro-3-methylphenoxy)benzonitrile
CID 107658057
2-bromo-4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
CID 107534253
4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
CID 107655411
2-(2-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 107662449
3-(2-fluoro-3-methylphenoxy)quinoxalin-2-amine
CID 107662445

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile (CID 112755295) is 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile is Cc1ncc(C#N)c(Oc2cccc(C)c2F)n1.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile?
The InChIKey is YJUSRDOCLBZJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-4-3-5-11(12(8)14)18-13-10(6-15)7-16-9(2)17-13/h3-5,7H,1-2H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile?
4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 112755295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).