3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile

C15H17N5O — CID 107662865

IUPAC3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCCCc1c(NN)ncnc1Oc1cc(C#N)ccc1C
InChIInChI=1S/C15H17N5O/c1-3-4-12-14(20-17)18-9-19-15(12)21-13-7-11(8-16)6-5-10(13)2/h5-7,9H,3-4,17H2,1-2H3,(H,18,19,20)
InChIKeyPXPWECRGSQGYOC-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.69
Rot. Bonds5

About 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile

3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile (PubChem CID 107662865) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
PubChem CID107662865
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCCCc1c(NN)ncnc1Oc1cc(C#N)ccc1C
InChIInChI=1S/C15H17N5O/c1-3-4-12-14(20-17)18-9-19-15(12)21-13-7-11(8-16)6-5-10(13)2/h5-7,9H,3-4,17H2,1-2H3,(H,18,19,20)
InChIKeyPXPWECRGSQGYOC-UHFFFAOYSA-N
XLogP2.69
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.69
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

3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107655267
[6-(2-chloro-5-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917240
[6-(2-chloro-4-methylphenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80930789
[5-ethyl-6-(5-fluoro-2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 102989646
2-[4-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80911185
3-[6-(methylamino)-5-propylpyrimidin-4-yl]oxybenzonitrile
CID 80863215
[6-(2-bromo-4-fluorophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80917689
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80822866
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
[6-(4-bromophenoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80915894
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile (CID 107662865) is 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile is CCCc1c(NN)ncnc1Oc1cc(C#N)ccc1C.
What is the InChIKey of 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
The InChIKey is PXPWECRGSQGYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-4-12-14(20-17)18-9-19-15(12)21-13-7-11(8-16)6-5-10(13)2/h5-7,9H,3-4,17H2,1-2H3,(H,18,19,20).
What are the key properties of 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile?
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107662865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).