4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile

C14H15N5O — CID 81000728

IUPAC4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
SMILESCCc1nc(NN)c(C)c(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C14H15N5O/c1-3-12-17-13(19-16)9(2)14(18-12)20-11-6-4-10(8-15)5-7-11/h4-7H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyIXHDPHFBGGVCQO-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.30
Rot. Bonds4

About 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile

4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 81000728) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
PubChem CID81000728
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
SMILESCCc1nc(NN)c(C)c(Oc2ccc(C#N)cc2)n1
InChIInChI=1S/C14H15N5O/c1-3-12-17-13(19-16)9(2)14(18-12)20-11-6-4-10(8-15)5-7-11/h4-7H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyIXHDPHFBGGVCQO-UHFFFAOYSA-N
XLogP2.30
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
[6-(3,5-dichlorophenoxy)-2-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001306
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile
CID 81000390
[2-ethyl-5-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-yl]hydrazine
CID 106598871
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 81007453
(2-ethyl-6-hexoxy-5-methylpyrimidin-4-yl)hydrazine
CID 81000285
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80981793

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile (CID 81000728) is 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile is CCc1nc(NN)c(C)c(Oc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is IXHDPHFBGGVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-12-17-13(19-16)9(2)14(18-12)20-11-6-4-10(8-15)5-7-11/h4-7H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile?
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 269.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 81000728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).