[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine

C13H16N4O — CID 80931328

IUPAC[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCCCc2ccccc2)ncn1
InChIInChI=1S/C13H16N4O/c14-17-12-9-13(16-10-15-12)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,14H2,(H,15,16,17)
InChIKeyPVUAIJPMNODYNF-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.77
Rot. Bonds6

About [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine

[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80931328) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine
PubChem CID80931328
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(OCCCc2ccccc2)ncn1
InChIInChI=1S/C13H16N4O/c14-17-12-9-13(16-10-15-12)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,14H2,(H,15,16,17)
InChIKeyPVUAIJPMNODYNF-UHFFFAOYSA-N
XLogP1.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydrazinyl-6-(3-phenylpropoxy)pyrimidin-2-amine
CID 80930333
[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80913517
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
[6-(3-methylbut-3-enoxy)pyrimidin-4-yl]hydrazine
CID 114471277
N-[2-(6-hydrazinylpyrimidin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102741463
[3-(6-hydrazinylpyrimidin-4-yl)oxyphenyl]methanol
CID 80931261
[6-(furan-2-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 80908948
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
CID 114783188
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369
[1-(6-methoxypyrimidin-4-yl)-4-phenylbutyl]hydrazine
CID 102953393
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611

Frequently Asked Questions

What is the IUPAC name of [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine (CID 80931328) is [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine is NNc1cc(OCCCc2ccccc2)ncn1.
What is the InChIKey of [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is PVUAIJPMNODYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-17-12-9-13(16-10-15-12)18-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,14H2,(H,15,16,17).
What are the key properties of [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine?
[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 244.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80931328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).