4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile

C15H16N4O — CID 80869908

IUPAC4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1nc(C)nc(Oc2ccc(C#N)cc2)c1C
InChIInChI=1S/C15H16N4O/c1-4-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(9-16)6-8-13/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyAZTQHDVUPUATRM-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.19
Rot. Bonds4

About 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile

4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile (PubChem CID 80869908) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
PubChem CID80869908
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1nc(C)nc(Oc2ccc(C#N)cc2)c1C
InChIInChI=1S/C15H16N4O/c1-4-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(9-16)6-8-13/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyAZTQHDVUPUATRM-UHFFFAOYSA-N
XLogP3.19
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
6-(4-iodophenoxy)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80881869
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(2-bromophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80859735
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
CID 80878598
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile (CID 80869908) is 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile is CCNc1nc(C)nc(Oc2ccc(C#N)cc2)c1C.
What is the InChIKey of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile?
The InChIKey is AZTQHDVUPUATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-4-17-14-10(2)15(19-11(3)18-14)20-13-7-5-12(9-16)6-8-13/h5-8H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile?
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80869908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).