3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile

C14H14N4O — CID 80941056

IUPAC3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCc1nc(NC)cc(Oc2cccc(C#N)c2)n1
InChIInChI=1S/C14H14N4O/c1-3-12-17-13(16-2)8-14(18-12)19-11-6-4-5-10(7-11)9-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyUGOFPDCISRXYPJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds4

About 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile

3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 80941056) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
PubChem CID80941056
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
SMILESCCc1nc(NC)cc(Oc2cccc(C#N)c2)n1
InChIInChI=1S/C14H14N4O/c1-3-12-17-13(16-2)8-14(18-12)19-11-6-4-5-10(7-11)9-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyUGOFPDCISRXYPJ-UHFFFAOYSA-N
XLogP2.74
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile 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

2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
6-(3-bromophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80941647
3-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80965882
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
6-(3-ethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80950205
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
2-ethyl-N-methyl-6-(4-nitrophenoxy)pyrimidin-4-amine
CID 80942472
[2-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-yl]hydrazine
CID 80940048
3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
CID 80863077
[6-(3-bromophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80939353
(2-ethyl-6-phenoxypyrimidin-4-yl)hydrazine
CID 80939130
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile (CID 80941056) is 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is CCc1nc(NC)cc(Oc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is UGOFPDCISRXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-12-17-13(16-2)8-14(18-12)19-11-6-4-5-10(7-11)9-15/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile?
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80941056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).