2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile

C15H17N5O — CID 81000390

IUPAC2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile
SMILESCCCc1nc(NN)c(C)c(Oc2ccccc2C#N)n1
InChIInChI=1S/C15H17N5O/c1-3-6-13-18-14(20-17)10(2)15(19-13)21-12-8-5-4-7-11(12)9-16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19,20)
InChIKeyDHJMSBWWVVRUJV-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.69
Rot. Bonds5

About 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile

2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 81000390) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile
PubChem CID81000390
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile
SMILESCCCc1nc(NN)c(C)c(Oc2ccccc2C#N)n1
InChIInChI=1S/C15H17N5O/c1-3-6-13-18-14(20-17)10(2)15(19-13)21-12-8-5-4-7-11(12)9-16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19,20)
InChIKeyDHJMSBWWVVRUJV-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

[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
[6-(2-fluoro-5-methylphenoxy)-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000747
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
[5-methyl-2-propyl-6-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 81000859
[6-(1-ethylpyrazol-4-yl)oxy-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 116806807
2-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80988463
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
1-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxy-N,N,2-trimethylpropan-2-amine
CID 81001539
N-(4-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007658
[2-ethyl-5-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidin-4-yl]hydrazine
CID 106598871
2-(2-cyanophenoxy)benzonitrile
CID 13435570
2-[(6-hydrazinyl-2-pyridinyl)oxy]benzonitrile
CID 80918520

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile (CID 81000390) is 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile is CCCc1nc(NN)c(C)c(Oc2ccccc2C#N)n1.
What is the InChIKey of 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is DHJMSBWWVVRUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-3-6-13-18-14(20-17)10(2)15(19-13)21-12-8-5-4-7-11(12)9-16/h4-5,7-8H,3,6,17H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile?
2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile 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 2-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 81000390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).