2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile

C13H11FN4O — CID 80883406

IUPAC2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1cc(Oc2ccc(C#N)c(F)c2)nc(C)n1
InChIInChI=1S/C13H11FN4O/c1-8-17-12(16-2)6-13(18-8)19-10-4-3-9(7-15)11(14)5-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeySRQZTSXOBBCKMO-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.63
Rot. Bonds3

About 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile

2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 80883406) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID80883406
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCNc1cc(Oc2ccc(C#N)c(F)c2)nc(C)n1
InChIInChI=1S/C13H11FN4O/c1-8-17-12(16-2)6-13(18-8)19-10-4-3-9(7-15)11(14)5-10/h3-6H,1-2H3,(H,16,17,18)
InChIKeySRQZTSXOBBCKMO-UHFFFAOYSA-N
XLogP2.63
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80876593
6-(4-chlorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80863637
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
CID 80882204
4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80962880
N,2-dimethyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315911
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883103
4-[5-chloro-2-(methylamino)pyrimidin-4-yl]oxy-2-fluorobenzonitrile
CID 80883706
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 78952723
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (CID 80883406) is 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is CNc1cc(Oc2ccc(C#N)c(F)c2)nc(C)n1.
What is the InChIKey of 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is SRQZTSXOBBCKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-8-17-12(16-2)6-13(18-8)19-10-4-3-9(7-15)11(14)5-10/h3-6H,1-2H3,(H,16,17,18).
What are the key properties of 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 258.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80883406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).